REMARK SPARTA+ Protein Chemical Shift Prediction Table REMARK REMARK All chemical shifts are reported in ppm: REMARK REMARK SS_SHIFT is the predicted secondary chemical shift. REMARK SHIFT is the predicted chemical shift. REMARK RC_SHIFT is the random coil chemical shift. REMARK HM_SHIFT is the ring current shift; a correction REMARK of 0.6 times this value is applied. REMARK EF_SHIFT is the adjustment for electric field effect, REMARK applied to proton shifts only. REMARK SIGMA is the estimated prediction error. REMARK REMARK Reference: REMARK Y. Shen and A. Bax: SPARTA+: a modest improvement in empirical NMR REMARK chemical shift prediction by means of an artificial neural network. REMARK J. Biomol. NMR 48, 13-22 (2010). DATA SOURCE 3lxh_1_B DATA FIRST_RESID 12 DATA SEQUENCE HRVAPPPHVP GHLIREIDAY DLDGLEQGFH EAWKRVQQPD TPPLVWTPFT DATA SEQUENCE GGHWIATRGT LIDEIYRSPE RFSSRVIWVP REAGEAYDMV PTKLDPPEHT DATA SEQUENCE PYRKAIDKGL NLAEIRKLED QIRTIAVEII EGFADRGHCE FGSEFSTVFP DATA SEQUENCE VRVFLALAGL PVEDATKLGL LANEMTRPSG NTPEEQGRSL EAANKGFFEY DATA SEQUENCE VAPIIAARRG GSGTDLITRI LNVEIDGKPM PDDRALGLVS LLLLGGLDTV DATA SEQUENCE VNFLGFMMIY LSRHPETVAE MRREPLKLQR GVEELFRRFA VVSDARYVVS DATA SEQUENCE DMEFHGTMLK EGDLILLPTA LHGLDDRHHD DPMTVDLSRR DVTHSTFAQG DATA SEQUENCE PHRCAGMHLA RLEVTVMLQE WLARIPEFRL KDRAVPIYHS GIVAAVENIP DATA SEQUENCE LEWEP VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 12 H HA 0.000 nan 4.556 nan 0.000 0.296 12 H C 0.000 175.446 175.328 0.197 0.000 0.993 12 H CA 0.000 56.091 56.048 0.072 0.000 1.023 12 H CB 0.000 29.791 29.762 0.049 0.000 1.292 13 R N 4.411 124.883 120.500 -0.047 0.000 2.621 13 R HA 0.605 4.944 4.340 -0.001 0.000 0.284 13 R C -1.638 174.661 176.300 -0.001 0.000 0.998 13 R CA -0.677 55.506 56.100 0.138 0.000 0.895 13 R CB 2.058 32.437 30.300 0.132 0.000 1.195 13 R HN 0.213 nan 8.270 nan 0.000 0.450 14 V N 2.600 122.598 119.914 0.140 0.000 2.732 14 V HA 0.620 4.739 4.120 -0.001 0.000 0.310 14 V C 0.078 176.272 176.094 0.168 0.000 1.053 14 V CA -0.783 61.612 62.300 0.158 0.000 0.957 14 V CB 1.710 33.682 31.823 0.248 0.000 1.018 14 V HN 0.968 nan 8.190 nan 0.000 0.452 15 A N 5.754 128.628 122.820 0.090 0.000 2.401 15 A HA 0.637 4.957 4.320 -0.001 0.000 0.259 15 A C -2.113 175.422 177.584 -0.083 0.000 1.103 15 A CA -1.155 50.885 52.037 0.005 0.000 0.789 15 A CB -0.191 18.788 19.000 -0.037 0.000 1.035 15 A HN 0.660 nan 8.150 nan 0.000 0.491 16 P HA 0.222 nan 4.420 nan 0.000 0.269 16 P C -2.541 174.354 177.300 -0.674 0.000 1.209 16 P CA -0.794 61.662 63.100 -1.074 0.000 0.776 16 P CB -0.256 30.733 31.700 -1.186 0.000 0.876 17 P HA 0.194 nan 4.420 nan 0.000 0.274 17 P C -1.973 175.116 177.300 -0.352 0.000 1.246 17 P CA -1.642 61.249 63.100 -0.349 0.000 0.795 17 P CB -0.726 30.871 31.700 -0.171 0.000 1.006 18 P HA -0.200 nan 4.420 nan 0.000 0.216 18 P C 1.379 178.632 177.300 -0.079 0.000 1.150 18 P CA 1.633 64.683 63.100 -0.083 0.000 0.843 18 P CB -0.523 31.180 31.700 0.005 0.000 0.787 19 H N -2.080 116.928 119.070 -0.103 0.000 2.555 19 H HA 0.092 4.648 4.556 -0.001 0.000 0.269 19 H C -0.004 175.298 175.328 -0.045 0.000 0.988 19 H CA 0.326 56.350 56.048 -0.039 0.000 1.178 19 H CB -0.794 28.983 29.762 0.026 0.000 1.373 19 H HN -0.048 nan 8.280 nan 0.000 0.588 20 V N 5.376 124.968 119.914 -0.536 0.000 2.348 20 V HA 0.210 4.329 4.120 -0.001 0.000 0.270 20 V C -1.881 174.011 176.094 -0.337 0.000 1.037 20 V CA -1.518 60.466 62.300 -0.528 0.000 0.872 20 V CB 1.393 32.554 31.823 -1.103 0.000 1.002 20 V HN 0.259 nan 8.190 nan 0.000 0.464 21 P HA 0.205 nan 4.420 nan 0.000 0.274 21 P C 1.102 178.289 177.300 -0.189 0.000 1.231 21 P CA -0.160 62.865 63.100 -0.125 0.000 0.790 21 P CB 1.232 32.933 31.700 0.002 0.000 0.951 22 G N 1.448 110.215 108.800 -0.055 0.000 2.450 22 G HA2 -0.258 3.702 3.960 -0.001 0.000 0.220 22 G HA3 -0.258 3.702 3.960 -0.001 0.000 0.220 22 G C 1.241 176.126 174.900 -0.025 0.000 1.130 22 G CA 0.585 45.655 45.100 -0.050 0.000 0.760 22 G HN 0.788 nan 8.290 nan 0.000 0.557 23 H N -0.124 118.936 119.070 -0.017 0.000 2.555 23 H HA 0.204 4.760 4.556 -0.001 0.000 0.269 23 H C 1.856 177.199 175.328 0.025 0.000 0.988 23 H CA 0.197 56.246 56.048 0.002 0.000 1.178 23 H CB -0.311 29.457 29.762 0.010 0.000 1.373 23 H HN 0.344 nan 8.280 nan 0.000 0.588 24 L N 0.992 121.980 121.223 -0.392 0.000 2.607 24 L HA 0.250 4.590 4.340 -0.001 0.000 0.228 24 L C 0.608 177.445 176.870 -0.056 0.000 1.123 24 L CA -0.109 54.624 54.840 -0.178 0.000 0.890 24 L CB 0.229 42.217 42.059 -0.118 0.000 1.103 24 L HN 0.077 nan 8.230 nan 0.000 0.468 25 I N 0.771 121.292 120.570 -0.081 0.000 2.556 25 I HA 0.065 4.234 4.170 -0.001 0.000 0.284 25 I C 0.248 176.334 176.117 -0.051 0.000 1.114 25 I CA 0.234 61.505 61.300 -0.049 0.000 1.418 25 I CB 0.616 38.575 38.000 -0.069 0.000 1.394 25 I HN 0.078 nan 8.210 nan 0.000 0.552 26 R N 4.461 124.912 120.500 -0.082 0.000 2.564 26 R HA 0.269 4.608 4.340 -0.001 0.000 0.284 26 R C -1.048 175.133 176.300 -0.199 0.000 1.031 26 R CA -0.577 55.466 56.100 -0.095 0.000 0.904 26 R CB 1.535 31.812 30.300 -0.038 0.000 1.199 26 R HN 0.497 nan 8.270 nan 0.000 0.443 27 E N 4.500 124.588 120.200 -0.186 0.000 1.861 27 E HA 0.193 4.542 4.350 -0.001 0.000 0.263 27 E C -0.474 176.114 176.600 -0.020 0.000 1.137 27 E CA 0.156 56.383 56.400 -0.288 0.000 0.944 27 E CB 0.309 29.940 29.700 -0.114 0.000 1.092 27 E HN 0.352 nan 8.360 nan 0.000 0.420 28 I N 1.879 122.421 120.570 -0.046 0.000 2.436 28 I HA 0.172 4.341 4.170 -0.001 0.000 0.289 28 I C -0.433 175.814 176.117 0.216 0.000 1.010 28 I CA -0.876 60.456 61.300 0.052 0.000 1.098 28 I CB 1.757 39.742 38.000 -0.025 0.000 1.266 28 I HN 0.181 nan 8.210 nan 0.000 0.434 29 D N 5.043 125.541 120.400 0.164 0.000 2.441 29 D HA 0.453 5.092 4.640 -0.001 0.000 0.231 29 D C 0.698 176.981 176.300 -0.028 0.000 1.073 29 D CA -0.388 53.693 54.000 0.134 0.000 0.850 29 D CB 2.011 42.786 40.800 -0.041 0.000 1.062 29 D HN 0.608 nan 8.370 nan 0.000 0.524 30 A N 3.522 126.339 122.820 -0.004 0.000 1.969 30 A HA -0.163 4.156 4.320 -0.001 0.000 0.218 30 A C 1.400 178.850 177.584 -0.224 0.000 1.169 30 A CA 1.048 53.001 52.037 -0.140 0.000 0.635 30 A CB -0.690 18.241 19.000 -0.115 0.000 0.810 30 A HN 0.725 nan 8.150 nan 0.000 0.445 31 Y N -1.297 119.030 120.300 0.045 0.000 2.546 31 Y HA 0.127 4.676 4.550 -0.001 0.000 0.287 31 Y C 0.492 176.403 175.900 0.017 0.000 1.158 31 Y CA 0.708 58.836 58.100 0.046 0.000 1.307 31 Y CB 0.421 38.907 38.460 0.043 0.000 1.036 31 Y HN 0.360 nan 8.280 nan 0.000 0.532 32 D N -0.189 120.253 120.400 0.069 0.000 3.250 32 D HA 0.139 4.778 4.640 -0.001 0.000 0.252 32 D C -1.129 175.124 176.300 -0.078 0.000 1.342 32 D CA -0.089 53.918 54.000 0.012 0.000 0.807 32 D CB -0.322 40.484 40.800 0.010 0.000 1.449 32 D HN -0.033 nan 8.370 nan 0.000 0.610 33 L N 1.109 122.238 121.223 -0.156 0.000 2.490 33 L HA 0.164 4.503 4.340 -0.001 0.000 0.274 33 L C 0.823 177.582 176.870 -0.185 0.000 1.201 33 L CA -0.066 54.608 54.840 -0.277 0.000 0.869 33 L CB 0.361 42.101 42.059 -0.532 0.000 1.123 33 L HN 0.327 nan 8.230 nan 0.000 0.484 34 D N 2.165 122.467 120.400 -0.164 0.000 2.493 34 D HA 0.220 4.859 4.640 -0.001 0.000 0.240 34 D C 1.079 177.304 176.300 -0.126 0.000 1.142 34 D CA 1.348 55.283 54.000 -0.109 0.000 0.872 34 D CB 0.715 41.470 40.800 -0.075 0.000 1.173 34 D HN 0.721 nan 8.370 nan 0.000 0.467 35 G N 2.939 111.689 108.800 -0.083 0.000 2.148 35 G HA2 -0.324 3.635 3.960 -0.001 0.000 0.254 35 G HA3 -0.324 3.635 3.960 -0.001 0.000 0.254 35 G C 0.966 175.814 174.900 -0.086 0.000 0.981 35 G CA 0.407 45.462 45.100 -0.075 0.000 0.670 35 G HN 0.575 nan 8.290 nan 0.000 0.528 36 L N 1.516 122.687 121.223 -0.087 0.000 2.081 36 L HA -0.063 4.277 4.340 -0.001 0.000 0.212 36 L C 2.767 179.649 176.870 0.020 0.000 1.080 36 L CA 3.037 57.842 54.840 -0.059 0.000 0.754 36 L CB -0.302 41.747 42.059 -0.017 0.000 0.893 36 L HN 0.596 nan 8.230 nan 0.000 0.433 37 E N -1.368 118.869 120.200 0.061 0.000 2.347 37 E HA -0.231 4.119 4.350 -0.001 0.000 0.196 37 E C 1.712 178.421 176.600 0.183 0.000 1.008 37 E CA 0.696 57.197 56.400 0.168 0.000 0.852 37 E CB -0.417 29.341 29.700 0.097 0.000 0.783 37 E HN 0.517 nan 8.360 nan 0.000 0.505 38 Q N 0.751 120.577 119.800 0.043 0.000 2.451 38 Q HA 0.270 4.609 4.340 -0.001 0.000 0.206 38 Q C 0.308 176.221 176.000 -0.144 0.000 0.947 38 Q CA 0.822 56.634 55.803 0.014 0.000 0.937 38 Q CB 0.942 29.677 28.738 -0.005 0.000 1.025 38 Q HN 0.417 nan 8.270 nan 0.000 0.511 39 G N -1.197 107.320 108.800 -0.471 0.000 2.435 39 G HA2 -0.147 3.813 3.960 -0.001 0.000 0.603 39 G HA3 -0.147 3.813 3.960 -0.001 0.000 0.603 39 G C -0.404 174.227 174.900 -0.450 0.000 1.496 39 G CA -0.570 43.991 45.100 -0.898 0.000 0.896 39 G HN 0.113 nan 8.290 nan 0.000 0.657 40 F N 1.221 120.862 119.950 -0.516 0.000 2.095 40 F HA -0.112 4.414 4.527 -0.001 0.000 0.298 40 F C 2.376 177.974 175.800 -0.337 0.000 1.104 40 F CA 2.803 60.589 58.000 -0.357 0.000 1.232 40 F CB 0.042 38.802 39.000 -0.401 0.000 0.987 40 F HN 0.659 nan 8.300 nan 0.000 0.475 41 H N -0.659 118.335 119.070 -0.126 0.000 2.363 41 H HA -0.067 4.488 4.556 -0.001 0.000 0.301 41 H C 1.993 177.232 175.328 -0.148 0.000 1.074 41 H CA 1.547 57.497 56.048 -0.162 0.000 1.354 41 H CB -0.198 29.534 29.762 -0.050 0.000 1.397 41 H HN 0.232 nan 8.280 nan 0.000 0.516 42 E N 0.627 120.812 120.200 -0.026 0.000 2.077 42 E HA -0.144 4.205 4.350 -0.001 0.000 0.193 42 E C 2.309 178.846 176.600 -0.104 0.000 0.989 42 E CA 1.091 57.465 56.400 -0.044 0.000 0.800 42 E CB -0.232 29.440 29.700 -0.045 0.000 0.746 42 E HN 0.510 nan 8.360 nan 0.000 0.452 43 A N -0.391 122.306 122.820 -0.205 0.000 1.898 43 A HA -0.141 4.178 4.320 -0.001 0.000 0.216 43 A C 1.971 179.376 177.584 -0.299 0.000 1.181 43 A CA 1.103 52.977 52.037 -0.272 0.000 0.620 43 A CB -1.020 17.765 19.000 -0.359 0.000 0.819 43 A HN 0.412 nan 8.150 nan 0.000 0.442 44 W N 0.243 121.319 121.300 -0.375 0.000 2.402 44 W HA -0.075 4.584 4.660 -0.001 0.000 0.286 44 W C 2.216 178.613 176.519 -0.203 0.000 1.221 44 W CA 0.989 58.132 57.345 -0.337 0.000 1.257 44 W CB 0.199 29.366 29.460 -0.489 0.000 1.120 44 W HN 0.114 nan 8.180 nan 0.000 0.551 45 K N 0.437 120.875 120.400 0.063 0.000 2.147 45 K HA -0.115 4.205 4.320 -0.001 0.000 0.205 45 K C 1.753 178.365 176.600 0.020 0.000 1.049 45 K CA 1.136 57.445 56.287 0.035 0.000 0.936 45 K CB -0.444 32.064 32.500 0.013 0.000 0.722 45 K HN 0.288 nan 8.250 nan 0.000 0.446 46 R N 0.342 120.835 120.500 -0.011 0.000 2.127 46 R HA -0.088 4.251 4.340 -0.001 0.000 0.238 46 R C 2.216 178.519 176.300 0.004 0.000 1.134 46 R CA 0.971 57.060 56.100 -0.018 0.000 0.975 46 R CB -0.275 29.993 30.300 -0.053 0.000 0.865 46 R HN -0.049 nan 8.270 nan 0.000 0.447 47 V N 0.585 120.519 119.914 0.033 0.000 2.515 47 V HA -0.181 3.939 4.120 -0.001 0.000 0.250 47 V C 1.408 177.542 176.094 0.067 0.000 1.058 47 V CA 1.299 63.643 62.300 0.073 0.000 1.064 47 V CB -0.347 31.590 31.823 0.189 0.000 0.675 47 V HN 0.331 nan 8.190 nan 0.000 0.461 48 Q N 0.909 120.744 119.800 0.058 0.000 2.810 48 Q HA 0.174 4.513 4.340 -0.001 0.000 0.236 48 Q C -0.216 175.799 176.000 0.024 0.000 1.278 48 Q CA -0.332 55.493 55.803 0.035 0.000 1.065 48 Q CB 0.264 29.017 28.738 0.025 0.000 1.364 48 Q HN 0.406 nan 8.270 nan 0.000 0.570 49 Q N 1.414 121.227 119.800 0.023 0.000 2.260 49 Q HA 0.229 4.569 4.340 -0.001 0.000 0.238 49 Q C -1.695 174.314 176.000 0.016 0.000 0.948 49 Q CA -2.291 53.523 55.803 0.018 0.000 0.895 49 Q CB 0.857 29.605 28.738 0.017 0.000 1.218 49 Q HN 0.336 nan 8.270 nan 0.000 0.470 50 P HA -0.140 nan 4.420 nan 0.000 0.217 50 P C -0.254 177.052 177.300 0.011 0.000 1.151 50 P CA 1.475 64.581 63.100 0.010 0.000 0.849 50 P CB 0.392 32.097 31.700 0.008 0.000 0.787 51 D N -2.513 117.895 120.400 0.014 0.000 2.402 51 D HA 0.018 4.657 4.640 -0.001 0.000 0.216 51 D C 0.513 176.829 176.300 0.026 0.000 1.128 51 D CA 0.318 54.329 54.000 0.018 0.000 0.833 51 D CB -0.178 40.632 40.800 0.017 0.000 0.971 51 D HN 0.146 nan 8.370 nan 0.000 0.503 52 T N 1.448 116.018 114.554 0.026 0.000 2.916 52 T HA 0.211 4.561 4.350 -0.001 0.000 0.303 52 T C -2.474 172.248 174.700 0.036 0.000 1.025 52 T CA -1.226 60.895 62.100 0.035 0.000 1.142 52 T CB 1.163 70.053 68.868 0.036 0.000 0.947 52 T HN -0.216 nan 8.240 nan 0.000 0.544 53 P HA 0.174 nan 4.420 nan 0.000 0.269 53 P C -1.802 175.518 177.300 0.033 0.000 1.215 53 P CA -1.491 61.643 63.100 0.057 0.000 0.780 53 P CB 0.183 31.939 31.700 0.093 0.000 0.898 54 P HA -0.038 nan 4.420 nan 0.000 0.221 54 P C -0.045 177.227 177.300 -0.045 0.000 1.150 54 P CA 1.452 64.514 63.100 -0.063 0.000 0.800 54 P CB 0.341 31.964 31.700 -0.128 0.000 0.787 55 L N 0.624 121.859 121.223 0.020 0.000 2.406 55 L HA 0.319 4.658 4.340 -0.001 0.000 0.272 55 L C -0.193 176.877 176.870 0.334 0.000 0.980 55 L CA -1.323 53.584 54.840 0.111 0.000 0.831 55 L CB 1.775 43.776 42.059 -0.096 0.000 1.253 55 L HN -0.235 nan 8.230 nan 0.000 0.406 56 V N 0.468 120.614 119.914 0.386 0.000 2.960 56 V HA 0.699 4.818 4.120 -0.001 0.000 0.315 56 V C -1.347 174.921 176.094 0.289 0.000 1.087 56 V CA -0.981 61.510 62.300 0.319 0.000 0.982 56 V CB 2.267 34.170 31.823 0.134 0.000 1.039 56 V HN 0.817 nan 8.190 nan 0.000 0.437 57 W N 1.861 123.034 121.300 -0.211 0.000 2.475 57 W HA 0.695 5.355 4.660 -0.002 0.000 0.317 57 W C -0.064 176.183 176.519 -0.453 0.000 1.046 57 W CA -0.198 56.809 57.345 -0.562 0.000 1.215 57 W CB 1.898 30.746 29.460 -1.020 0.000 1.335 57 W HN 0.921 nan 8.180 nan 0.000 0.471 58 T N 7.141 121.131 114.554 -0.940 0.000 2.859 58 T HA 0.374 4.723 4.350 -0.001 0.000 0.281 58 T C -1.649 172.319 174.700 -1.221 0.000 1.005 58 T CA -2.237 59.351 62.100 -0.853 0.000 1.025 58 T CB 1.780 70.212 68.868 -0.727 0.000 0.977 58 T HN 0.402 nan 8.240 nan 0.000 0.458 59 P HA 0.162 nan 4.420 nan 0.000 0.245 59 P C 0.404 177.573 177.300 -0.219 0.000 1.203 59 P CA -0.004 62.870 63.100 -0.377 0.000 0.792 59 P CB 0.137 31.768 31.700 -0.114 0.000 0.997 60 F N 0.544 120.379 119.950 -0.192 0.000 2.426 60 F HA 0.102 4.628 4.527 -0.001 0.000 0.309 60 F C 1.842 177.622 175.800 -0.033 0.000 1.246 60 F CA -0.060 57.905 58.000 -0.057 0.000 1.229 60 F CB -0.385 38.593 39.000 -0.038 0.000 1.255 60 F HN -0.202 nan 8.300 nan 0.000 0.558 61 T N 0.605 115.359 114.554 0.334 0.000 3.538 61 T HA -0.198 4.151 4.350 -0.001 0.000 0.385 61 T C 0.721 175.560 174.700 0.232 0.000 0.766 61 T CA 0.960 63.229 62.100 0.281 0.000 1.906 61 T CB -1.829 67.268 68.868 0.381 0.000 1.760 61 T HN 1.703 nan 8.240 nan 0.000 0.678 62 G N -0.370 108.539 108.800 0.182 0.000 2.176 62 G HA2 0.237 4.197 3.960 -0.001 0.000 0.253 62 G HA3 0.237 4.197 3.960 -0.001 0.000 0.253 62 G C 1.368 176.327 174.900 0.097 0.000 0.979 62 G CA 0.548 45.742 45.100 0.156 0.000 0.641 62 G HN 2.775 nan 8.290 nan 0.000 0.530 63 G N -0.697 108.039 108.800 -0.106 0.000 3.399 63 G HA2 0.521 4.480 3.960 -0.001 0.000 0.685 63 G HA3 0.521 4.480 3.960 -0.001 0.000 0.685 63 G C -0.421 174.133 174.900 -0.577 0.000 0.952 63 G CA 0.705 45.426 45.100 -0.630 0.000 0.793 63 G HN 2.857 nan 8.290 nan 0.000 0.492 64 H N -1.343 116.996 119.070 -1.219 0.000 3.003 64 H HA 0.672 5.227 4.556 -0.001 0.000 0.327 64 H C -0.534 174.293 175.328 -0.834 0.000 1.353 64 H CA -1.689 53.938 56.048 -0.702 0.000 1.142 64 H CB 0.174 29.780 29.762 -0.260 0.000 1.864 64 H HN 0.589 nan 8.280 nan 0.000 0.529 65 W N 0.917 122.163 121.300 -0.089 0.000 2.215 65 W HA 0.592 5.252 4.660 -0.001 0.000 0.342 65 W C -0.215 176.349 176.519 0.074 0.000 1.237 65 W CA -0.508 56.839 57.345 0.004 0.000 1.283 65 W CB 0.791 30.331 29.460 0.132 0.000 1.131 65 W HN 0.440 nan 8.180 nan 0.000 0.606 66 I N 2.409 123.167 120.570 0.313 0.000 2.499 66 I HA 0.384 4.553 4.170 -0.001 0.000 0.288 66 I C -0.188 175.991 176.117 0.103 0.000 1.048 66 I CA -1.262 60.145 61.300 0.178 0.000 1.062 66 I CB 1.445 39.545 38.000 0.167 0.000 1.238 66 I HN 0.424 nan 8.210 nan 0.000 0.426 67 A N 3.246 126.050 122.820 -0.027 0.000 2.409 67 A HA 0.467 4.786 4.320 -0.001 0.000 0.267 67 A C 0.912 178.418 177.584 -0.130 0.000 1.127 67 A CA -0.047 51.928 52.037 -0.102 0.000 0.795 67 A CB 0.115 18.997 19.000 -0.198 0.000 1.061 67 A HN 0.869 nan 8.150 nan 0.000 0.502 68 T N -0.326 114.170 114.554 -0.097 0.000 3.054 68 T HA 0.284 4.633 4.350 -0.001 0.000 0.255 68 T C 0.501 175.140 174.700 -0.102 0.000 1.035 68 T CA -0.170 61.883 62.100 -0.078 0.000 0.941 68 T CB 0.076 68.938 68.868 -0.009 0.000 1.026 68 T HN 0.489 nan 8.240 nan 0.000 0.533 69 R N 0.344 120.756 120.500 -0.147 0.000 2.621 69 R HA 0.586 4.925 4.340 -0.001 0.000 0.292 69 R C 1.417 177.580 176.300 -0.229 0.000 0.969 69 R CA -0.392 55.621 56.100 -0.145 0.000 0.887 69 R CB 1.332 31.553 30.300 -0.133 0.000 1.180 69 R HN 0.229 nan 8.270 nan 0.000 0.450 70 G N 0.550 109.178 108.800 -0.286 0.000 2.469 70 G HA2 -0.336 3.623 3.960 -0.001 0.000 0.220 70 G HA3 -0.336 3.623 3.960 -0.001 0.000 0.220 70 G C 1.248 175.751 174.900 -0.662 0.000 1.136 70 G CA 1.868 46.613 45.100 -0.593 0.000 0.759 70 G HN 0.640 nan 8.290 nan 0.000 0.562 71 T N -0.321 114.034 114.554 -0.333 0.000 2.867 71 T HA 0.006 4.355 4.350 -0.001 0.000 0.268 71 T C 2.397 176.944 174.700 -0.255 0.000 1.057 71 T CA 1.201 63.180 62.100 -0.202 0.000 1.136 71 T CB -0.184 68.688 68.868 0.005 0.000 0.874 71 T HN 0.060 nan 8.240 nan 0.000 0.466 72 L N 0.278 121.297 121.223 -0.340 0.000 2.093 72 L HA 0.213 4.552 4.340 -0.001 0.000 0.208 72 L C 2.526 179.238 176.870 -0.265 0.000 1.085 72 L CA 1.243 55.881 54.840 -0.337 0.000 0.755 72 L CB -0.486 41.338 42.059 -0.392 0.000 0.904 72 L HN 0.322 nan 8.230 nan 0.000 0.435 73 I N -0.568 119.822 120.570 -0.301 0.000 2.142 73 I HA -0.316 3.854 4.170 -0.001 0.000 0.240 73 I C 2.253 178.253 176.117 -0.195 0.000 1.078 73 I CA 1.705 62.817 61.300 -0.312 0.000 1.343 73 I CB -0.340 37.518 38.000 -0.237 0.000 1.046 73 I HN 0.303 nan 8.210 nan 0.000 0.405 74 D N 0.715 121.036 120.400 -0.131 0.000 2.106 74 D HA -0.308 4.331 4.640 -0.001 0.000 0.191 74 D C 2.129 178.451 176.300 0.036 0.000 0.997 74 D CA 1.824 55.830 54.000 0.010 0.000 0.834 74 D CB -0.062 40.660 40.800 -0.130 0.000 0.956 74 D HN 0.356 nan 8.370 nan 0.000 0.448 75 E N -0.482 119.709 120.200 -0.015 0.000 2.072 75 E HA -0.152 4.197 4.350 -0.001 0.000 0.191 75 E C 2.330 178.945 176.600 0.025 0.000 0.985 75 E CA 0.802 57.245 56.400 0.072 0.000 0.801 75 E CB -0.119 29.680 29.700 0.165 0.000 0.750 75 E HN 0.443 nan 8.360 nan 0.000 0.452 76 I N 0.215 120.670 120.570 -0.191 0.000 2.142 76 I HA -0.290 3.880 4.170 -0.001 0.000 0.240 76 I C 2.090 178.110 176.117 -0.162 0.000 1.078 76 I CA 1.092 62.089 61.300 -0.505 0.000 1.343 76 I CB -0.380 37.109 38.000 -0.850 0.000 1.046 76 I HN 0.191 nan 8.210 nan 0.000 0.405 77 Y N 1.262 121.511 120.300 -0.086 0.000 2.207 77 Y HA -0.207 4.342 4.550 -0.001 0.000 0.287 77 Y C 2.525 178.451 175.900 0.045 0.000 1.156 77 Y CA 1.271 59.367 58.100 -0.008 0.000 1.182 77 Y CB -0.580 37.879 38.460 -0.001 0.000 0.979 77 Y HN 0.117 nan 8.280 nan 0.000 0.521 78 R N -0.547 120.082 120.500 0.215 0.000 2.307 78 R HA 0.056 4.395 4.340 -0.001 0.000 0.199 78 R C 0.226 176.618 176.300 0.154 0.000 1.000 78 R CA 0.842 57.036 56.100 0.157 0.000 1.023 78 R CB -0.130 30.246 30.300 0.126 0.000 0.908 78 R HN 0.058 nan 8.270 nan 0.000 0.473 79 S N 1.522 117.337 115.700 0.192 0.000 2.078 79 S HA 0.182 4.651 4.470 -0.001 0.000 0.168 79 S C -1.931 172.798 174.600 0.216 0.000 1.542 79 S CA -1.104 57.225 58.200 0.216 0.000 1.223 79 S CB 1.267 64.652 63.200 0.307 0.000 1.152 79 S HN 0.053 nan 8.310 nan 0.000 0.452 80 P HA -0.169 nan 4.420 nan 0.000 0.217 80 P C 0.931 178.279 177.300 0.079 0.000 1.148 80 P CA 1.232 64.414 63.100 0.137 0.000 0.828 80 P CB 0.331 32.094 31.700 0.105 0.000 0.783 81 E N -0.388 119.837 120.200 0.042 0.000 2.152 81 E HA -0.085 4.265 4.350 -0.001 0.000 0.192 81 E C 2.235 178.779 176.600 -0.095 0.000 0.983 81 E CA 0.737 57.132 56.400 -0.009 0.000 0.818 81 E CB -0.098 29.599 29.700 -0.006 0.000 0.758 81 E HN 0.287 nan 8.360 nan 0.000 0.467 82 R N -0.670 119.716 120.500 -0.191 0.000 2.206 82 R HA 0.118 4.457 4.340 -0.001 0.000 0.198 82 R C -0.180 175.581 176.300 -0.898 0.000 0.986 82 R CA 0.301 56.055 56.100 -0.578 0.000 1.029 82 R CB 0.512 30.363 30.300 -0.748 0.000 0.966 82 R HN -0.008 nan 8.270 nan 0.000 0.487 83 F N 0.410 120.328 119.950 -0.053 0.000 2.646 83 F HA 0.292 4.818 4.527 -0.001 0.000 0.364 83 F C 0.042 175.863 175.800 0.035 0.000 1.137 83 F CA -0.865 57.112 58.000 -0.040 0.000 1.085 83 F CB 1.599 40.520 39.000 -0.132 0.000 1.331 83 F HN -0.218 nan 8.300 nan 0.000 0.472 84 S N 0.882 116.706 115.700 0.207 0.000 2.601 84 S HA 0.298 4.767 4.470 -0.001 0.000 0.271 84 S C 1.006 175.686 174.600 0.132 0.000 1.305 84 S CA -0.385 57.904 58.200 0.149 0.000 1.022 84 S CB 1.227 64.487 63.200 0.099 0.000 0.940 84 S HN 0.505 nan 8.310 nan 0.000 0.525 85 S N 2.215 117.964 115.700 0.082 0.000 2.605 85 S HA 0.083 4.552 4.470 -0.001 0.000 0.217 85 S C 1.726 176.340 174.600 0.023 0.000 0.958 85 S CA -0.168 58.049 58.200 0.028 0.000 0.919 85 S CB -0.277 62.893 63.200 -0.050 0.000 0.780 85 S HN 0.767 nan 8.310 nan 0.000 0.507 86 R N 1.250 121.732 120.500 -0.030 0.000 2.139 86 R HA -0.076 4.263 4.340 -0.001 0.000 0.243 86 R C -0.109 176.148 176.300 -0.072 0.000 1.145 86 R CA 1.280 57.301 56.100 -0.131 0.000 0.976 86 R CB -0.002 30.057 30.300 -0.402 0.000 0.866 86 R HN 0.219 nan 8.270 nan 0.000 0.449 87 V N 1.746 121.675 119.914 0.025 0.000 2.623 87 V HA 0.227 4.347 4.120 -0.001 0.000 0.304 87 V C 0.151 176.316 176.094 0.119 0.000 1.054 87 V CA -0.743 61.630 62.300 0.121 0.000 0.882 87 V CB 1.896 33.867 31.823 0.247 0.000 1.002 87 V HN 0.366 nan 8.190 nan 0.000 0.424 88 I N -0.241 120.369 120.570 0.066 0.000 4.102 88 I HA 0.442 4.611 4.170 -0.001 0.000 0.325 88 I C -0.150 176.017 176.117 0.084 0.000 1.471 88 I CA -0.030 61.289 61.300 0.032 0.000 1.133 88 I CB 0.514 38.495 38.000 -0.032 0.000 1.184 88 I HN 0.441 nan 8.210 nan 0.000 0.451 89 W N 2.478 123.667 121.300 -0.184 0.000 2.844 89 W HA 0.653 5.312 4.660 -0.001 0.000 0.340 89 W C -0.950 175.531 176.519 -0.063 0.000 1.093 89 W CA -0.826 56.440 57.345 -0.133 0.000 1.212 89 W CB 2.650 32.039 29.460 -0.119 0.000 1.422 89 W HN -0.192 nan 8.180 nan 0.000 0.515 90 V N 1.542 121.467 119.914 0.019 0.000 2.667 90 V HA 0.608 4.727 4.120 -0.001 0.000 0.308 90 V C -2.332 173.935 176.094 0.288 0.000 1.048 90 V CA -2.701 59.622 62.300 0.039 0.000 0.928 90 V CB 1.375 33.013 31.823 -0.309 0.000 1.004 90 V HN 0.295 nan 8.190 nan 0.000 0.444 91 P HA 0.201 nan 4.420 nan 0.000 0.272 91 P C 0.614 178.018 177.300 0.174 0.000 1.240 91 P CA -0.353 62.858 63.100 0.185 0.000 0.791 91 P CB 0.949 32.738 31.700 0.149 0.000 0.978 92 R N 1.034 121.625 120.500 0.151 0.000 2.133 92 R HA -0.240 4.100 4.340 -0.001 0.000 0.247 92 R C 1.628 178.012 176.300 0.140 0.000 1.151 92 R CA 2.112 58.306 56.100 0.157 0.000 0.971 92 R CB -0.252 30.143 30.300 0.158 0.000 0.866 92 R HN 0.436 nan 8.270 nan 0.000 0.447 93 E N -0.119 120.150 120.200 0.115 0.000 2.106 93 E HA -0.100 4.249 4.350 -0.001 0.000 0.192 93 E C 1.857 178.506 176.600 0.081 0.000 0.984 93 E CA 1.324 57.775 56.400 0.085 0.000 0.806 93 E CB -0.168 29.566 29.700 0.058 0.000 0.750 93 E HN 0.481 nan 8.360 nan 0.000 0.458 94 A N 0.724 123.612 122.820 0.114 0.000 1.933 94 A HA -0.074 4.245 4.320 -0.001 0.000 0.218 94 A C 2.409 180.049 177.584 0.094 0.000 1.175 94 A CA 1.696 53.799 52.037 0.110 0.000 0.628 94 A CB -1.163 17.974 19.000 0.228 0.000 0.814 94 A HN 0.355 nan 8.150 nan 0.000 0.444 95 G N -0.486 108.420 108.800 0.177 0.000 2.408 95 G HA2 -0.173 3.786 3.960 -0.001 0.000 0.217 95 G HA3 -0.173 3.786 3.960 -0.001 0.000 0.217 95 G C 1.389 176.363 174.900 0.124 0.000 1.150 95 G CA 0.926 46.129 45.100 0.173 0.000 0.776 95 G HN 0.653 nan 8.290 nan 0.000 0.542 96 E N 0.353 120.615 120.200 0.103 0.000 2.208 96 E HA 0.111 4.460 4.350 -0.001 0.000 0.193 96 E C 2.655 179.277 176.600 0.038 0.000 0.988 96 E CA 0.567 57.010 56.400 0.072 0.000 0.828 96 E CB -0.020 29.722 29.700 0.070 0.000 0.763 96 E HN 0.429 nan 8.360 nan 0.000 0.478 97 A N 0.584 123.415 122.820 0.018 0.000 2.123 97 A HA -0.049 4.270 4.320 -0.001 0.000 0.214 97 A C 0.637 178.166 177.584 -0.093 0.000 1.152 97 A CA -0.127 51.884 52.037 -0.043 0.000 0.728 97 A CB -0.295 18.671 19.000 -0.057 0.000 0.814 97 A HN 0.317 nan 8.150 nan 0.000 0.464 98 Y N 1.139 121.309 120.300 -0.216 0.000 2.620 98 Y HA 0.313 4.862 4.550 -0.001 0.000 0.330 98 Y C -0.554 175.212 175.900 -0.223 0.000 1.186 98 Y CA -0.003 57.901 58.100 -0.326 0.000 1.467 98 Y CB 0.423 38.638 38.460 -0.410 0.000 1.262 98 Y HN 0.197 nan 8.280 nan 0.000 0.550 99 D N 7.651 127.615 120.400 -0.726 0.000 2.328 99 D HA 0.270 4.910 4.640 -0.001 0.000 0.243 99 D C -1.482 174.534 176.300 -0.473 0.000 1.324 99 D CA -0.325 53.406 54.000 -0.449 0.000 0.966 99 D CB 0.186 40.814 40.800 -0.286 0.000 1.324 99 D HN 0.506 nan 8.370 nan 0.000 0.549 100 M N 1.622 120.913 119.600 -0.514 0.000 2.531 100 M HA 0.490 4.969 4.480 -0.001 0.000 0.286 100 M C -1.141 175.100 176.300 -0.099 0.000 1.232 100 M CA -0.973 54.128 55.300 -0.332 0.000 0.877 100 M CB 2.132 34.421 32.600 -0.519 0.000 1.726 100 M HN -0.024 nan 8.290 nan 0.000 0.463 101 V N 3.234 123.115 119.914 -0.054 0.000 2.638 101 V HA 0.484 4.604 4.120 -0.001 0.000 0.306 101 V C -1.985 174.121 176.094 0.020 0.000 1.052 101 V CA -0.852 61.414 62.300 -0.057 0.000 0.885 101 V CB 2.658 34.347 31.823 -0.222 0.000 0.999 101 V HN 0.679 nan 8.190 nan 0.000 0.424 102 P HA 0.082 nan 4.420 nan 0.000 0.266 102 P C 1.220 178.764 177.300 0.406 0.000 1.381 102 P CA 0.198 63.411 63.100 0.189 0.000 0.940 102 P CB 0.082 31.894 31.700 0.186 0.000 1.435 103 T N -0.551 114.210 114.554 0.346 0.000 2.849 103 T HA -0.215 4.134 4.350 -0.001 0.000 0.270 103 T C 1.597 176.433 174.700 0.226 0.000 1.066 103 T CA 1.433 63.716 62.100 0.304 0.000 1.130 103 T CB -0.813 68.243 68.868 0.313 0.000 0.864 103 T HN 0.340 nan 8.240 nan 0.000 0.481 104 K N 0.866 121.434 120.400 0.280 0.000 2.459 104 K HA 0.244 4.563 4.320 -0.001 0.000 0.193 104 K C 0.451 177.157 176.600 0.177 0.000 1.030 104 K CA 0.118 56.536 56.287 0.219 0.000 1.026 104 K CB -0.205 32.410 32.500 0.193 0.000 0.809 104 K HN 0.351 nan 8.250 nan 0.000 0.504 105 L N 1.717 123.103 121.223 0.270 0.000 2.334 105 L HA 0.352 4.692 4.340 -0.001 0.000 0.275 105 L C -0.458 176.604 176.870 0.320 0.000 1.036 105 L CA -1.124 53.872 54.840 0.259 0.000 0.807 105 L CB 1.309 43.518 42.059 0.251 0.000 1.231 105 L HN 0.075 nan 8.230 nan 0.000 0.438 106 D N 1.853 122.378 120.400 0.208 0.000 2.217 106 D HA 0.351 4.990 4.640 -0.001 0.000 0.248 106 D C -2.421 173.969 176.300 0.149 0.000 1.008 106 D CA -1.384 52.714 54.000 0.163 0.000 0.914 106 D CB 1.612 42.478 40.800 0.111 0.000 1.182 106 D HN 0.156 nan 8.370 nan 0.000 0.451 107 P HA 0.076 nan 4.420 nan 0.000 0.268 107 P C -1.721 175.632 177.300 0.088 0.000 1.205 107 P CA -0.757 62.413 63.100 0.117 0.000 0.771 107 P CB 0.314 32.058 31.700 0.074 0.000 0.858 108 P HA 0.021 nan 4.420 nan 0.000 0.234 108 P C 0.875 178.239 177.300 0.107 0.000 1.175 108 P CA 0.852 64.002 63.100 0.083 0.000 0.801 108 P CB 0.397 32.130 31.700 0.054 0.000 0.891 109 E N -0.051 120.225 120.200 0.126 0.000 2.097 109 E HA -0.243 4.106 4.350 -0.001 0.000 0.196 109 E C 2.075 178.814 176.600 0.230 0.000 1.000 109 E CA 1.456 57.955 56.400 0.166 0.000 0.804 109 E CB -1.287 28.502 29.700 0.149 0.000 0.740 109 E HN 0.485 nan 8.360 nan 0.000 0.454 110 H N -0.342 118.799 119.070 0.118 0.000 2.353 110 H HA -0.149 4.406 4.556 -0.001 0.000 0.298 110 H C 2.186 177.576 175.328 0.103 0.000 1.103 110 H CA 2.339 58.449 56.048 0.102 0.000 1.293 110 H CB -0.356 29.396 29.762 -0.017 0.000 1.372 110 H HN 0.220 nan 8.280 nan 0.000 0.501 111 T N -0.210 114.340 114.554 -0.006 0.000 2.777 111 T HA -0.015 4.334 4.350 -0.001 0.000 0.266 111 T C -0.513 174.098 174.700 -0.148 0.000 1.040 111 T CA 1.017 63.060 62.100 -0.095 0.000 1.141 111 T CB -0.832 68.064 68.868 0.047 0.000 0.868 111 T HN 0.391 nan 8.240 nan 0.000 0.444 112 P HA -0.085 nan 4.420 nan 0.000 0.216 112 P C 0.819 177.923 177.300 -0.327 0.000 1.153 112 P CA 1.322 64.275 63.100 -0.244 0.000 0.848 112 P CB -0.390 31.113 31.700 -0.328 0.000 0.787 113 Y N 0.357 120.570 120.300 -0.144 0.000 2.165 113 Y HA -0.188 4.361 4.550 -0.001 0.000 0.286 113 Y C 3.022 178.813 175.900 -0.180 0.000 1.155 113 Y CA 1.422 59.437 58.100 -0.142 0.000 1.164 113 Y CB -0.815 37.577 38.460 -0.113 0.000 0.978 113 Y HN -0.132 nan 8.280 nan 0.000 0.513 114 R N 1.130 121.510 120.500 -0.200 0.000 2.092 114 R HA -0.092 4.248 4.340 -0.001 0.000 0.231 114 R C 1.897 178.143 176.300 -0.091 0.000 1.119 114 R CA 1.293 57.279 56.100 -0.190 0.000 0.970 114 R CB -0.279 29.799 30.300 -0.370 0.000 0.864 114 R HN -0.013 nan 8.270 nan 0.000 0.440 115 K N 0.529 120.866 120.400 -0.106 0.000 2.044 115 K HA -0.103 4.216 4.320 -0.001 0.000 0.210 115 K C 1.973 178.537 176.600 -0.060 0.000 1.049 115 K CA 1.684 57.927 56.287 -0.075 0.000 0.927 115 K CB -0.769 31.678 32.500 -0.088 0.000 0.713 115 K HN 0.297 nan 8.250 nan 0.000 0.443 116 A N 2.062 124.837 122.820 -0.075 0.000 1.859 116 A HA -0.193 4.126 4.320 -0.001 0.000 0.217 116 A C 2.205 179.785 177.584 -0.008 0.000 1.198 116 A CA 1.714 53.723 52.037 -0.047 0.000 0.629 116 A CB -0.595 18.377 19.000 -0.047 0.000 0.830 116 A HN 0.172 nan 8.150 nan 0.000 0.446 117 I N 0.606 121.183 120.570 0.013 0.000 2.151 117 I HA -0.255 3.915 4.170 -0.001 0.000 0.243 117 I C 1.712 177.844 176.117 0.024 0.000 1.080 117 I CA 1.931 63.251 61.300 0.033 0.000 1.339 117 I CB -1.652 36.375 38.000 0.046 0.000 1.039 117 I HN 0.315 nan 8.210 nan 0.000 0.409 118 D N 0.940 121.346 120.400 0.010 0.000 2.264 118 D HA -0.129 4.510 4.640 -0.001 0.000 0.208 118 D C 2.129 178.431 176.300 0.004 0.000 0.966 118 D CA 0.677 54.686 54.000 0.014 0.000 0.864 118 D CB -0.090 40.714 40.800 0.007 0.000 0.933 118 D HN 0.344 nan 8.370 nan 0.000 0.499 119 K N 0.375 120.771 120.400 -0.006 0.000 2.063 119 K HA -0.078 4.241 4.320 -0.001 0.000 0.208 119 K C 2.133 178.729 176.600 -0.005 0.000 1.048 119 K CA 1.203 57.483 56.287 -0.012 0.000 0.928 119 K CB -0.625 31.863 32.500 -0.019 0.000 0.713 119 K HN 0.196 nan 8.250 nan 0.000 0.442 120 G N 0.807 109.610 108.800 0.005 0.000 2.396 120 G HA2 -0.091 3.868 3.960 -0.001 0.000 0.214 120 G HA3 -0.091 3.868 3.960 -0.001 0.000 0.214 120 G C 1.392 176.307 174.900 0.025 0.000 1.166 120 G CA 0.068 45.175 45.100 0.012 0.000 0.793 120 G HN 0.150 nan 8.290 nan 0.000 0.533 121 L N 1.489 122.737 121.223 0.041 0.000 2.728 121 L HA 0.208 4.547 4.340 -0.001 0.000 0.238 121 L C 0.840 177.764 176.870 0.090 0.000 1.143 121 L CA -0.429 54.451 54.840 0.067 0.000 0.937 121 L CB -0.233 41.872 42.059 0.077 0.000 1.225 121 L HN 0.314 nan 8.230 nan 0.000 0.507 122 N N 0.128 118.851 118.700 0.038 0.000 2.371 122 N HA -0.068 4.671 4.740 -0.001 0.000 0.243 122 N C 1.097 176.529 175.510 -0.130 0.000 1.287 122 N CA -0.447 52.593 53.050 -0.017 0.000 0.911 122 N CB 1.553 40.011 38.487 -0.047 0.000 1.142 122 N HN -0.071 nan 8.380 nan 0.000 0.451 123 L N 1.712 122.678 121.223 -0.427 0.000 2.042 123 L HA -0.162 4.177 4.340 -0.001 0.000 0.210 123 L C 2.526 179.278 176.870 -0.198 0.000 1.076 123 L CA 2.177 56.718 54.840 -0.498 0.000 0.749 123 L CB -1.189 40.430 42.059 -0.733 0.000 0.893 123 L HN 0.815 nan 8.230 nan 0.000 0.432 124 A N -0.917 121.815 122.820 -0.147 0.000 1.877 124 A HA -0.189 4.131 4.320 -0.001 0.000 0.216 124 A C 2.149 179.702 177.584 -0.052 0.000 1.186 124 A CA 1.674 53.663 52.037 -0.080 0.000 0.620 124 A CB -0.629 18.332 19.000 -0.065 0.000 0.822 124 A HN 0.524 nan 8.150 nan 0.000 0.443 125 E N -0.052 120.120 120.200 -0.047 0.000 2.049 125 E HA -0.228 4.121 4.350 -0.001 0.000 0.198 125 E C 1.995 178.588 176.600 -0.012 0.000 1.007 125 E CA 1.812 58.198 56.400 -0.024 0.000 0.809 125 E CB -0.630 29.061 29.700 -0.015 0.000 0.749 125 E HN 0.857 nan 8.360 nan 0.000 0.450 126 I N -0.813 119.752 120.570 -0.008 0.000 2.546 126 I HA -0.086 4.084 4.170 -0.001 0.000 0.255 126 I C 2.177 178.306 176.117 0.020 0.000 1.163 126 I CA 1.048 62.359 61.300 0.020 0.000 1.457 126 I CB -0.170 37.864 38.000 0.057 0.000 1.092 126 I HN -0.155 nan 8.210 nan 0.000 0.434 127 R N 1.378 121.878 120.500 0.000 0.000 2.139 127 R HA -0.124 4.215 4.340 -0.001 0.000 0.243 127 R C 2.120 178.428 176.300 0.015 0.000 1.145 127 R CA 1.670 57.775 56.100 0.009 0.000 0.976 127 R CB -0.335 29.959 30.300 -0.009 0.000 0.866 127 R HN 0.462 nan 8.270 nan 0.000 0.449 128 K N 0.265 120.668 120.400 0.006 0.000 2.280 128 K HA -0.119 4.200 4.320 -0.001 0.000 0.202 128 K C 1.587 178.197 176.600 0.016 0.000 1.047 128 K CA 0.964 57.255 56.287 0.007 0.000 0.942 128 K CB -0.003 32.496 32.500 -0.002 0.000 0.739 128 K HN 0.261 nan 8.250 nan 0.000 0.457 129 L N 0.298 121.535 121.223 0.023 0.000 2.558 129 L HA 0.020 4.359 4.340 -0.001 0.000 0.225 129 L C 2.255 179.157 176.870 0.053 0.000 1.128 129 L CA 0.203 55.062 54.840 0.031 0.000 0.868 129 L CB -0.355 41.721 42.059 0.029 0.000 1.006 129 L HN 0.216 nan 8.230 nan 0.000 0.454 130 E N 1.362 121.597 120.200 0.057 0.000 2.065 130 E HA -0.303 4.046 4.350 -0.001 0.000 0.201 130 E C 1.424 178.073 176.600 0.083 0.000 1.016 130 E CA 2.195 58.642 56.400 0.078 0.000 0.818 130 E CB 0.124 29.864 29.700 0.068 0.000 0.749 130 E HN 0.420 nan 8.360 nan 0.000 0.453 131 D N -0.005 120.432 120.400 0.061 0.000 2.117 131 D HA -0.166 4.473 4.640 -0.001 0.000 0.197 131 D C 2.148 178.487 176.300 0.065 0.000 0.987 131 D CA 1.211 55.245 54.000 0.058 0.000 0.829 131 D CB -0.313 40.511 40.800 0.040 0.000 0.961 131 D HN 0.386 nan 8.370 nan 0.000 0.460 132 Q N 0.111 119.945 119.800 0.058 0.000 2.050 132 Q HA -0.077 4.263 4.340 -0.001 0.000 0.202 132 Q C 2.482 178.540 176.000 0.097 0.000 0.980 132 Q CA 0.816 56.654 55.803 0.059 0.000 0.840 132 Q CB -0.042 28.717 28.738 0.035 0.000 0.898 132 Q HN 0.330 nan 8.270 nan 0.000 0.424 133 I N 0.240 120.882 120.570 0.121 0.000 2.179 133 I HA -0.298 3.871 4.170 -0.001 0.000 0.242 133 I C 2.550 178.846 176.117 0.297 0.000 1.088 133 I CA 1.073 62.498 61.300 0.210 0.000 1.357 133 I CB -0.201 37.922 38.000 0.206 0.000 1.051 133 I HN 0.129 nan 8.210 nan 0.000 0.409 134 R N 0.345 120.966 120.500 0.200 0.000 2.096 134 R HA -0.193 4.147 4.340 -0.001 0.000 0.240 134 R C 2.302 178.678 176.300 0.126 0.000 1.139 134 R CA 2.380 58.571 56.100 0.152 0.000 0.952 134 R CB -0.394 29.968 30.300 0.103 0.000 0.854 134 R HN 0.290 nan 8.270 nan 0.000 0.436 135 T N 0.496 115.115 114.554 0.108 0.000 2.777 135 T HA -0.055 4.295 4.350 -0.001 0.000 0.266 135 T C 1.765 176.521 174.700 0.094 0.000 1.040 135 T CA 1.372 63.518 62.100 0.077 0.000 1.141 135 T CB -0.106 68.796 68.868 0.057 0.000 0.868 135 T HN 0.170 nan 8.240 nan 0.000 0.444 136 I N 1.430 122.087 120.570 0.145 0.000 2.179 136 I HA -0.193 3.977 4.170 -0.001 0.000 0.242 136 I C 2.972 179.229 176.117 0.233 0.000 1.088 136 I CA 1.139 62.551 61.300 0.185 0.000 1.357 136 I CB -0.589 37.538 38.000 0.212 0.000 1.051 136 I HN 0.186 nan 8.210 nan 0.000 0.409 137 A N 0.672 123.659 122.820 0.280 0.000 1.873 137 A HA -0.208 4.111 4.320 -0.001 0.000 0.218 137 A C 2.436 180.061 177.584 0.068 0.000 1.193 137 A CA 2.332 54.413 52.037 0.074 0.000 0.629 137 A CB -1.160 17.782 19.000 -0.097 0.000 0.826 137 A HN 0.260 nan 8.150 nan 0.000 0.447 138 V N 0.236 120.170 119.914 0.033 0.000 2.343 138 V HA -0.288 3.831 4.120 -0.001 0.000 0.247 138 V C 2.561 178.623 176.094 -0.053 0.000 1.051 138 V CA 2.326 64.609 62.300 -0.029 0.000 1.036 138 V CB -0.839 30.974 31.823 -0.018 0.000 0.654 138 V HN 0.806 nan 8.190 nan 0.000 0.451 139 E N 0.308 120.503 120.200 -0.009 0.000 2.049 139 E HA -0.268 4.081 4.350 -0.001 0.000 0.198 139 E C 2.170 178.731 176.600 -0.064 0.000 1.007 139 E CA 2.275 58.660 56.400 -0.024 0.000 0.809 139 E CB -0.216 29.493 29.700 0.014 0.000 0.749 139 E HN 0.621 nan 8.360 nan 0.000 0.450 140 I N 0.738 121.293 120.570 -0.024 0.000 2.163 140 I HA -0.270 3.900 4.170 -0.001 0.000 0.240 140 I C 2.573 178.474 176.117 -0.360 0.000 1.081 140 I CA 0.996 62.268 61.300 -0.047 0.000 1.353 140 I CB -0.256 37.816 38.000 0.119 0.000 1.054 140 I HN 0.170 nan 8.210 nan 0.000 0.407 141 I N 0.610 120.981 120.570 -0.331 0.000 2.208 141 I HA -0.306 3.863 4.170 -0.001 0.000 0.245 141 I C 2.443 178.041 176.117 -0.865 0.000 1.097 141 I CA 1.562 62.389 61.300 -0.788 0.000 1.363 141 I CB -0.486 37.234 38.000 -0.466 0.000 1.051 141 I HN 0.271 nan 8.210 nan 0.000 0.413 142 E N 0.748 120.675 120.200 -0.456 0.000 2.118 142 E HA -0.197 4.152 4.350 -0.001 0.000 0.195 142 E C 2.320 178.750 176.600 -0.283 0.000 0.992 142 E CA 1.108 57.328 56.400 -0.301 0.000 0.804 142 E CB -0.382 29.215 29.700 -0.172 0.000 0.741 142 E HN 0.631 nan 8.360 nan 0.000 0.458 143 G N 0.802 109.411 108.800 -0.319 0.000 2.517 143 G HA2 -0.260 3.699 3.960 -0.001 0.000 0.222 143 G HA3 -0.260 3.699 3.960 -0.001 0.000 0.222 143 G C 1.149 176.007 174.900 -0.071 0.000 1.109 143 G CA 1.438 46.431 45.100 -0.178 0.000 0.746 143 G HN 0.415 nan 8.290 nan 0.000 0.576 144 F N -2.537 117.419 119.950 0.010 0.000 2.880 144 F HA 0.682 5.208 4.527 -0.001 0.000 0.346 144 F C 2.073 177.942 175.800 0.115 0.000 1.054 144 F CA -0.416 57.601 58.000 0.028 0.000 1.151 144 F CB -0.314 38.735 39.000 0.082 0.000 1.066 144 F HN 0.074 nan 8.300 nan 0.000 0.566 145 A N 1.461 124.339 122.820 0.096 0.000 1.892 145 A HA -0.203 4.116 4.320 -0.001 0.000 0.218 145 A C 1.861 179.642 177.584 0.329 0.000 1.188 145 A CA 2.477 54.629 52.037 0.192 0.000 0.631 145 A CB -1.012 17.903 19.000 -0.142 0.000 0.822 145 A HN 0.404 nan 8.150 nan 0.000 0.447 146 D N -1.024 119.453 120.400 0.129 0.000 2.178 146 D HA -0.137 4.503 4.640 -0.001 0.000 0.201 146 D C 1.993 178.309 176.300 0.027 0.000 0.980 146 D CA 1.163 55.210 54.000 0.079 0.000 0.842 146 D CB -0.360 40.454 40.800 0.022 0.000 0.948 146 D HN 0.542 nan 8.370 nan 0.000 0.472 147 R N 0.170 120.658 120.500 -0.019 0.000 2.189 147 R HA -0.061 4.278 4.340 -0.001 0.000 0.223 147 R C 1.308 177.383 176.300 -0.375 0.000 1.092 147 R CA 1.115 57.103 56.100 -0.186 0.000 0.989 147 R CB -0.040 30.090 30.300 -0.283 0.000 0.876 147 R HN 0.238 nan 8.270 nan 0.000 0.457 148 G N 0.501 108.933 108.800 -0.614 0.000 2.162 148 G HA2 -0.296 3.663 3.960 -0.001 0.000 0.260 148 G HA3 -0.296 3.663 3.960 -0.001 0.000 0.260 148 G C -0.164 173.686 174.900 -1.750 0.000 0.976 148 G CA 0.786 45.063 45.100 -1.371 0.000 0.655 148 G HN 0.717 nan 8.290 nan 0.000 0.533 149 H N -2.153 116.080 119.070 -1.395 0.000 3.094 149 H HA 0.621 5.177 4.556 -0.001 0.000 0.346 149 H C -0.309 174.833 175.328 -0.310 0.000 1.238 149 H CA -0.403 55.139 56.048 -0.844 0.000 1.209 149 H CB 1.359 30.887 29.762 -0.391 0.000 1.911 149 H HN 1.111 nan 8.280 nan 0.000 0.540 150 C N 1.188 120.516 119.300 0.047 0.000 3.285 150 C HA 0.482 4.942 4.460 -0.001 0.000 0.325 150 C C -0.511 174.533 174.990 0.090 0.000 1.304 150 C CA -0.883 58.129 59.018 -0.010 0.000 1.319 150 C CB 2.005 29.471 27.740 -0.457 0.000 1.640 150 C HN 0.948 nan 8.230 nan 0.000 0.477 151 E N 1.052 121.286 120.200 0.058 0.000 1.996 151 E HA 0.168 4.518 4.350 -0.001 0.000 0.280 151 E C 0.258 176.905 176.600 0.077 0.000 1.092 151 E CA -0.320 56.127 56.400 0.079 0.000 0.862 151 E CB 0.457 30.192 29.700 0.058 0.000 1.066 151 E HN 0.746 nan 8.360 nan 0.000 0.396 152 F N 4.548 124.482 119.950 -0.027 0.000 2.250 152 F HA -0.088 4.438 4.527 -0.001 0.000 0.301 152 F C 1.591 177.424 175.800 0.055 0.000 1.077 152 F CA 1.899 59.889 58.000 -0.017 0.000 1.348 152 F CB 0.138 39.079 39.000 -0.098 0.000 1.040 152 F HN 0.536 nan 8.300 nan 0.000 0.509 153 G N -0.747 108.069 108.800 0.028 0.000 2.505 153 G HA2 -0.243 3.717 3.960 -0.001 0.000 0.214 153 G HA3 -0.243 3.717 3.960 -0.001 0.000 0.214 153 G C 1.823 176.682 174.900 -0.068 0.000 1.237 153 G CA 0.793 45.865 45.100 -0.047 0.000 0.802 153 G HN 0.363 nan 8.290 nan 0.000 0.549 154 S N 0.429 116.117 115.700 -0.020 0.000 2.380 154 S HA -0.135 4.334 4.470 -0.001 0.000 0.229 154 S C 2.191 176.800 174.600 0.014 0.000 1.043 154 S CA 1.859 60.057 58.200 -0.002 0.000 1.038 154 S CB -0.196 63.016 63.200 0.019 0.000 0.872 154 S HN 0.589 nan 8.310 nan 0.000 0.456 155 E N -2.364 117.852 120.200 0.027 0.000 2.431 155 E HA 0.170 4.519 4.350 -0.001 0.000 0.200 155 E C 1.016 177.776 176.600 0.267 0.000 0.995 155 E CA 0.178 56.660 56.400 0.136 0.000 0.915 155 E CB 0.336 30.085 29.700 0.083 0.000 0.930 155 E HN 0.525 nan 8.360 nan 0.000 0.496 156 F N -0.301 119.572 119.950 -0.128 0.000 1.964 156 F HA -0.018 4.509 4.527 -0.001 0.000 0.248 156 F C 2.152 177.798 175.800 -0.257 0.000 1.051 156 F CA 0.786 58.691 58.000 -0.158 0.000 1.221 156 F CB -0.149 38.714 39.000 -0.229 0.000 1.497 156 F HN -0.096 nan 8.300 nan 0.000 0.653 157 S N -0.637 114.809 115.700 -0.425 0.000 2.419 157 S HA -0.163 4.307 4.470 -0.001 0.000 0.233 157 S C 1.693 176.225 174.600 -0.114 0.000 1.016 157 S CA 1.564 59.630 58.200 -0.223 0.000 0.974 157 S CB -1.429 61.666 63.200 -0.175 0.000 0.786 157 S HN 0.558 nan 8.310 nan 0.000 0.492 158 T N -1.280 113.203 114.554 -0.119 0.000 3.129 158 T HA 0.304 4.654 4.350 -0.001 0.000 0.251 158 T C 1.394 176.050 174.700 -0.073 0.000 1.117 158 T CA 0.384 62.444 62.100 -0.067 0.000 1.034 158 T CB -0.043 68.797 68.868 -0.046 0.000 0.968 158 T HN 0.280 nan 8.240 nan 0.000 0.526 159 V N -0.104 119.737 119.914 -0.123 0.000 2.735 159 V HA 0.203 4.322 4.120 -0.001 0.000 0.234 159 V C 1.887 177.909 176.094 -0.120 0.000 1.121 159 V CA 0.367 62.606 62.300 -0.102 0.000 1.160 159 V CB -0.856 30.919 31.823 -0.080 0.000 0.908 159 V HN 0.407 nan 8.190 nan 0.000 0.495 160 F N 3.594 123.278 119.950 -0.444 0.000 2.043 160 F HA -0.105 4.421 4.527 -0.001 0.000 0.297 160 F C -0.353 175.354 175.800 -0.155 0.000 1.121 160 F CA 2.389 60.140 58.000 -0.414 0.000 1.199 160 F CB -1.747 36.720 39.000 -0.887 0.000 0.968 160 F HN 0.207 nan 8.300 nan 0.000 0.478 161 P HA -0.113 nan 4.420 nan 0.000 0.218 161 P C 2.114 179.310 177.300 -0.173 0.000 1.149 161 P CA 1.539 64.401 63.100 -0.397 0.000 0.817 161 P CB -0.120 31.510 31.700 -0.118 0.000 0.785 162 V N 0.092 119.944 119.914 -0.103 0.000 2.379 162 V HA -0.174 3.945 4.120 -0.001 0.000 0.245 162 V C 2.639 178.735 176.094 0.003 0.000 1.044 162 V CA 1.585 63.881 62.300 -0.007 0.000 1.036 162 V CB -0.802 31.014 31.823 -0.012 0.000 0.664 162 V HN 0.049 nan 8.190 nan 0.000 0.453 163 R N -0.178 120.287 120.500 -0.059 0.000 2.073 163 R HA -0.099 4.240 4.340 -0.001 0.000 0.234 163 R C 2.274 178.535 176.300 -0.065 0.000 1.134 163 R CA 1.316 57.389 56.100 -0.045 0.000 0.952 163 R CB -0.899 29.381 30.300 -0.034 0.000 0.850 163 R HN 0.431 nan 8.270 nan 0.000 0.433 164 V N 0.919 120.742 119.914 -0.152 0.000 2.255 164 V HA -0.261 3.858 4.120 -0.001 0.000 0.247 164 V C 2.127 178.190 176.094 -0.052 0.000 1.051 164 V CA 1.942 64.157 62.300 -0.142 0.000 1.018 164 V CB -0.622 31.019 31.823 -0.303 0.000 0.641 164 V HN 0.142 nan 8.190 nan 0.000 0.445 165 F N -0.065 119.812 119.950 -0.121 0.000 2.163 165 F HA -0.071 4.455 4.527 -0.001 0.000 0.297 165 F C 2.065 177.851 175.800 -0.024 0.000 1.094 165 F CA 1.484 59.447 58.000 -0.061 0.000 1.290 165 F CB -0.186 38.788 39.000 -0.044 0.000 1.017 165 F HN -0.010 nan 8.300 nan 0.000 0.483 166 L N -0.409 120.813 121.223 -0.002 0.000 2.141 166 L HA -0.166 4.174 4.340 -0.001 0.000 0.209 166 L C 2.726 179.528 176.870 -0.113 0.000 1.094 166 L CA 0.978 55.792 54.840 -0.043 0.000 0.763 166 L CB -1.125 40.968 42.059 0.056 0.000 0.908 166 L HN 0.222 nan 8.230 nan 0.000 0.437 167 A N 0.276 123.037 122.820 -0.098 0.000 1.858 167 A HA -0.245 4.074 4.320 -0.001 0.000 0.216 167 A C 2.210 179.709 177.584 -0.141 0.000 1.190 167 A CA 1.772 53.754 52.037 -0.091 0.000 0.617 167 A CB -0.773 18.192 19.000 -0.058 0.000 0.827 167 A HN 0.322 nan 8.150 nan 0.000 0.443 168 L N -0.275 120.822 121.223 -0.209 0.000 2.079 168 L HA -0.074 4.265 4.340 -0.001 0.000 0.210 168 L C 2.420 179.108 176.870 -0.303 0.000 1.081 168 L CA 2.283 56.976 54.840 -0.245 0.000 0.752 168 L CB -0.516 41.370 42.059 -0.288 0.000 0.896 168 L HN 0.320 nan 8.230 nan 0.000 0.433 169 A N -0.908 121.651 122.820 -0.436 0.000 2.208 169 A HA 0.348 4.668 4.320 -0.001 0.000 0.209 169 A C 1.590 179.079 177.584 -0.158 0.000 1.161 169 A CA 0.535 52.363 52.037 -0.349 0.000 0.782 169 A CB -1.088 17.642 19.000 -0.450 0.000 0.816 169 A HN 0.836 nan 8.150 nan 0.000 0.477 170 G N -0.641 108.083 108.800 -0.127 0.000 2.338 170 G HA2 -0.210 3.749 3.960 -0.001 0.000 0.296 170 G HA3 -0.210 3.749 3.960 -0.001 0.000 0.296 170 G C -0.168 174.711 174.900 -0.035 0.000 1.040 170 G CA 0.724 45.783 45.100 -0.068 0.000 1.004 170 G HN 0.493 nan 8.290 nan 0.000 0.509 171 L N -0.621 120.592 121.223 -0.018 0.000 2.354 171 L HA 0.538 4.877 4.340 -0.001 0.000 0.264 171 L C -2.064 174.837 176.870 0.051 0.000 1.008 171 L CA -2.690 52.174 54.840 0.041 0.000 0.819 171 L CB 2.287 44.413 42.059 0.113 0.000 1.339 171 L HN -0.124 nan 8.230 nan 0.000 0.420 172 P HA -0.014 nan 4.420 nan 0.000 0.265 172 P C 0.745 178.083 177.300 0.064 0.000 1.222 172 P CA 0.064 63.201 63.100 0.061 0.000 0.767 172 P CB 0.865 32.607 31.700 0.070 0.000 0.801 173 V N 3.963 123.901 119.914 0.039 0.000 2.453 173 V HA -0.252 3.867 4.120 -0.001 0.000 0.252 173 V C 2.055 178.167 176.094 0.029 0.000 1.068 173 V CA 2.239 64.558 62.300 0.032 0.000 1.070 173 V CB -0.718 31.116 31.823 0.019 0.000 0.664 173 V HN 0.641 nan 8.190 nan 0.000 0.461 174 E N -1.148 119.071 120.200 0.031 0.000 2.478 174 E HA -0.207 4.142 4.350 -0.001 0.000 0.198 174 E C 1.191 177.806 176.600 0.025 0.000 1.046 174 E CA 1.115 57.530 56.400 0.025 0.000 0.870 174 E CB -0.453 29.262 29.700 0.024 0.000 0.818 174 E HN 0.578 nan 8.360 nan 0.000 0.527 175 D N 1.381 121.806 120.400 0.042 0.000 2.363 175 D HA 0.092 4.732 4.640 -0.001 0.000 0.220 175 D C 1.735 178.006 176.300 -0.049 0.000 0.994 175 D CA 0.894 54.906 54.000 0.020 0.000 0.890 175 D CB 0.096 40.959 40.800 0.104 0.000 0.906 175 D HN 0.309 nan 8.370 nan 0.000 0.530 176 A N 0.428 123.237 122.820 -0.017 0.000 1.892 176 A HA -0.244 4.075 4.320 -0.001 0.000 0.218 176 A C 2.332 179.888 177.584 -0.047 0.000 1.188 176 A CA 2.200 54.223 52.037 -0.023 0.000 0.631 176 A CB -0.962 18.035 19.000 -0.004 0.000 0.822 176 A HN 0.229 nan 8.150 nan 0.000 0.447 177 T N 0.367 114.896 114.554 -0.041 0.000 2.652 177 T HA -0.184 4.166 4.350 -0.001 0.000 0.267 177 T C 1.936 176.590 174.700 -0.077 0.000 1.039 177 T CA 2.017 64.089 62.100 -0.047 0.000 1.153 177 T CB -0.314 68.535 68.868 -0.032 0.000 0.863 177 T HN 0.859 nan 8.240 nan 0.000 0.428 178 K N 1.312 121.652 120.400 -0.099 0.000 2.155 178 K HA 0.098 4.417 4.320 -0.001 0.000 0.203 178 K C 2.227 178.682 176.600 -0.241 0.000 1.052 178 K CA 0.938 57.139 56.287 -0.145 0.000 0.948 178 K CB -0.508 31.916 32.500 -0.126 0.000 0.728 178 K HN 0.257 nan 8.250 nan 0.000 0.448 179 L N 1.333 122.393 121.223 -0.271 0.000 2.056 179 L HA -0.063 4.277 4.340 -0.001 0.000 0.207 179 L C 2.785 179.565 176.870 -0.150 0.000 1.078 179 L CA 1.413 56.067 54.840 -0.310 0.000 0.749 179 L CB -1.029 40.892 42.059 -0.230 0.000 0.901 179 L HN 0.541 nan 8.230 nan 0.000 0.433 180 G N 0.244 108.996 108.800 -0.080 0.000 2.469 180 G HA2 -0.252 3.707 3.960 -0.001 0.000 0.219 180 G HA3 -0.252 3.707 3.960 -0.001 0.000 0.219 180 G C 1.622 176.496 174.900 -0.043 0.000 1.150 180 G CA 0.717 45.798 45.100 -0.032 0.000 0.763 180 G HN 0.222 nan 8.290 nan 0.000 0.561 181 L N -0.215 120.956 121.223 -0.086 0.000 2.093 181 L HA 0.031 4.370 4.340 -0.001 0.000 0.208 181 L C 2.933 179.747 176.870 -0.094 0.000 1.085 181 L CA 0.534 55.326 54.840 -0.081 0.000 0.755 181 L CB -0.373 41.632 42.059 -0.090 0.000 0.904 181 L HN 0.217 nan 8.230 nan 0.000 0.435 182 L N -0.477 120.629 121.223 -0.195 0.000 2.093 182 L HA -0.172 4.168 4.340 -0.001 0.000 0.208 182 L C 2.823 179.710 176.870 0.028 0.000 1.085 182 L CA 1.043 55.723 54.840 -0.267 0.000 0.755 182 L CB -0.641 40.915 42.059 -0.840 0.000 0.904 182 L HN 0.229 nan 8.230 nan 0.000 0.435 183 A N 0.120 123.018 122.820 0.129 0.000 1.929 183 A HA -0.174 4.145 4.320 -0.001 0.000 0.216 183 A C 2.024 179.719 177.584 0.186 0.000 1.176 183 A CA 1.506 53.712 52.037 0.283 0.000 0.628 183 A CB -0.464 18.680 19.000 0.239 0.000 0.816 183 A HN 0.396 nan 8.150 nan 0.000 0.444 184 N N 0.416 119.172 118.700 0.095 0.000 2.069 184 N HA -0.141 4.598 4.740 -0.001 0.000 0.191 184 N C 1.433 177.000 175.510 0.095 0.000 1.031 184 N CA 1.483 54.575 53.050 0.069 0.000 0.852 184 N CB -0.335 38.153 38.487 0.003 0.000 1.018 184 N HN 0.421 nan 8.380 nan 0.000 0.423 185 E N -0.033 120.212 120.200 0.075 0.000 2.347 185 E HA 0.008 4.357 4.350 -0.001 0.000 0.196 185 E C 1.774 178.453 176.600 0.132 0.000 1.008 185 E CA 0.290 56.730 56.400 0.068 0.000 0.852 185 E CB -0.006 29.703 29.700 0.016 0.000 0.783 185 E HN 0.378 nan 8.360 nan 0.000 0.505 186 M N -0.092 119.631 119.600 0.205 0.000 2.134 186 M HA -0.069 4.411 4.480 -0.001 0.000 0.262 186 M C 2.356 178.985 176.300 0.548 0.000 1.076 186 M CA 1.799 57.261 55.300 0.270 0.000 1.143 186 M CB -1.369 31.388 32.600 0.263 0.000 1.346 186 M HN 0.103 nan 8.290 nan 0.000 0.421 187 T N -1.693 113.154 114.554 0.488 0.000 3.054 187 T HA 0.093 4.442 4.350 -0.001 0.000 0.259 187 T C 1.053 176.004 174.700 0.419 0.000 1.092 187 T CA 0.248 62.651 62.100 0.506 0.000 1.121 187 T CB 0.020 69.081 68.868 0.322 0.000 0.912 187 T HN 0.339 nan 8.240 nan 0.000 0.489 188 R N 1.919 122.609 120.500 0.318 0.000 2.674 188 R HA 0.306 4.645 4.340 -0.001 0.000 0.270 188 R C -3.034 173.296 176.300 0.051 0.000 1.492 188 R CA -1.641 54.612 56.100 0.255 0.000 1.624 188 R CB 0.972 31.396 30.300 0.207 0.000 1.307 188 R HN 0.317 nan 8.270 nan 0.000 0.683 189 P HA -0.004 nan 4.420 nan 0.000 0.267 189 P C -0.112 177.095 177.300 -0.155 0.000 1.209 189 P CA 0.331 63.399 63.100 -0.054 0.000 0.763 189 P CB 1.020 32.713 31.700 -0.011 0.000 0.816 190 S N 1.677 117.325 115.700 -0.086 0.000 2.558 190 S HA 0.434 4.904 4.470 -0.001 0.000 0.287 190 S C 0.882 175.423 174.600 -0.098 0.000 1.321 190 S CA 1.133 59.283 58.200 -0.083 0.000 1.048 190 S CB -0.169 63.002 63.200 -0.048 0.000 0.844 190 S HN 0.971 nan 8.310 nan 0.000 0.512 191 G N 1.744 110.489 108.800 -0.092 0.000 2.334 191 G HA2 0.029 3.988 3.960 -0.001 0.000 0.566 191 G HA3 0.029 3.988 3.960 -0.001 0.000 0.566 191 G C -0.613 174.232 174.900 -0.092 0.000 1.413 191 G CA -0.843 44.206 45.100 -0.085 0.000 0.993 191 G HN 0.522 nan 8.290 nan 0.000 0.642 192 N N -0.711 117.945 118.700 -0.074 0.000 2.159 192 N HA 0.265 5.005 4.740 -0.001 0.000 0.217 192 N C -0.057 175.401 175.510 -0.086 0.000 1.223 192 N CA 0.559 53.574 53.050 -0.059 0.000 0.896 192 N CB 1.467 39.940 38.487 -0.024 0.000 1.064 192 N HN 0.562 nan 8.380 nan 0.000 0.518 193 T N 0.378 114.841 114.554 -0.152 0.000 2.916 193 T HA 0.274 4.623 4.350 -0.001 0.000 0.305 193 T C -1.987 172.562 174.700 -0.251 0.000 1.119 193 T CA -1.209 60.703 62.100 -0.314 0.000 1.008 193 T CB 2.891 71.651 68.868 -0.180 0.000 1.129 193 T HN -0.264 nan 8.240 nan 0.000 0.480 194 P HA -0.126 nan 4.420 nan 0.000 0.216 194 P C 1.164 178.427 177.300 -0.061 0.000 1.157 194 P CA 1.308 64.341 63.100 -0.111 0.000 0.880 194 P CB 0.398 32.060 31.700 -0.062 0.000 0.791 195 E N -0.459 119.699 120.200 -0.069 0.000 2.077 195 E HA -0.179 4.170 4.350 -0.001 0.000 0.193 195 E C 2.068 178.647 176.600 -0.035 0.000 0.989 195 E CA 1.147 57.529 56.400 -0.030 0.000 0.800 195 E CB -0.399 29.292 29.700 -0.015 0.000 0.746 195 E HN 0.376 nan 8.360 nan 0.000 0.452 196 E N 0.249 120.416 120.200 -0.055 0.000 2.017 196 E HA -0.243 4.106 4.350 -0.001 0.000 0.193 196 E C 2.233 178.800 176.600 -0.055 0.000 0.997 196 E CA 1.165 57.534 56.400 -0.051 0.000 0.804 196 E CB -0.117 29.547 29.700 -0.060 0.000 0.757 196 E HN 0.309 nan 8.360 nan 0.000 0.448 197 Q N -0.204 119.552 119.800 -0.073 0.000 2.077 197 Q HA -0.179 4.160 4.340 -0.001 0.000 0.206 197 Q C 2.362 178.348 176.000 -0.023 0.000 0.989 197 Q CA 1.397 57.155 55.803 -0.075 0.000 0.853 197 Q CB -0.405 28.268 28.738 -0.108 0.000 0.907 197 Q HN 0.367 nan 8.270 nan 0.000 0.418 198 G N 0.686 109.483 108.800 -0.005 0.000 2.442 198 G HA2 -0.283 3.676 3.960 -0.001 0.000 0.219 198 G HA3 -0.283 3.676 3.960 -0.001 0.000 0.219 198 G C 1.442 176.335 174.900 -0.013 0.000 1.141 198 G CA 0.667 45.773 45.100 0.009 0.000 0.763 198 G HN 0.201 nan 8.290 nan 0.000 0.554 199 R N -0.088 120.400 120.500 -0.021 0.000 2.075 199 R HA 0.048 4.387 4.340 -0.001 0.000 0.226 199 R C 3.046 179.326 176.300 -0.034 0.000 1.114 199 R CA 1.047 57.131 56.100 -0.027 0.000 0.972 199 R CB -0.250 30.036 30.300 -0.024 0.000 0.869 199 R HN 0.319 nan 8.270 nan 0.000 0.437 200 S N 1.411 117.091 115.700 -0.033 0.000 2.365 200 S HA -0.167 4.302 4.470 -0.001 0.000 0.225 200 S C 1.729 176.313 174.600 -0.027 0.000 1.039 200 S CA 1.284 59.465 58.200 -0.032 0.000 1.033 200 S CB -0.356 62.822 63.200 -0.037 0.000 0.887 200 S HN 0.246 nan 8.310 nan 0.000 0.447 201 L N 2.080 123.290 121.223 -0.022 0.000 2.017 201 L HA -0.051 4.288 4.340 -0.001 0.000 0.208 201 L C 2.187 179.006 176.870 -0.085 0.000 1.073 201 L CA 2.008 56.824 54.840 -0.040 0.000 0.745 201 L CB -1.579 40.449 42.059 -0.051 0.000 0.894 201 L HN 0.385 nan 8.230 nan 0.000 0.432 202 E N -0.308 119.841 120.200 -0.084 0.000 2.065 202 E HA -0.273 4.077 4.350 -0.001 0.000 0.201 202 E C 2.091 178.629 176.600 -0.103 0.000 1.016 202 E CA 1.766 58.102 56.400 -0.107 0.000 0.818 202 E CB -0.054 29.601 29.700 -0.076 0.000 0.749 202 E HN 0.621 nan 8.360 nan 0.000 0.453 203 A N 1.043 123.821 122.820 -0.070 0.000 1.883 203 A HA -0.156 4.163 4.320 -0.001 0.000 0.217 203 A C 2.384 179.928 177.584 -0.067 0.000 1.186 203 A CA 2.137 54.137 52.037 -0.061 0.000 0.624 203 A CB -0.821 18.151 19.000 -0.047 0.000 0.822 203 A HN 0.431 nan 8.150 nan 0.000 0.444 204 A N -0.474 122.313 122.820 -0.054 0.000 1.969 204 A HA -0.172 4.148 4.320 -0.001 0.000 0.218 204 A C 1.924 179.524 177.584 0.026 0.000 1.169 204 A CA 1.815 53.832 52.037 -0.034 0.000 0.635 204 A CB -0.729 18.280 19.000 0.016 0.000 0.810 204 A HN 0.700 nan 8.150 nan 0.000 0.445 205 N N -0.944 117.724 118.700 -0.053 0.000 2.250 205 N HA -0.082 4.657 4.740 -0.001 0.000 0.181 205 N C 1.830 177.175 175.510 -0.275 0.000 1.017 205 N CA 1.082 54.034 53.050 -0.163 0.000 0.866 205 N CB -0.110 38.148 38.487 -0.383 0.000 0.985 205 N HN 0.436 nan 8.380 nan 0.000 0.429 206 K N -0.192 120.081 120.400 -0.211 0.000 2.057 206 K HA -0.047 4.272 4.320 -0.001 0.000 0.206 206 K C 1.970 178.582 176.600 0.020 0.000 1.050 206 K CA 1.097 57.310 56.287 -0.124 0.000 0.935 206 K CB -0.305 32.145 32.500 -0.083 0.000 0.715 206 K HN 0.251 nan 8.250 nan 0.000 0.439 207 G N 0.776 109.565 108.800 -0.019 0.000 2.529 207 G HA2 -0.282 3.677 3.960 -0.001 0.000 0.219 207 G HA3 -0.282 3.677 3.960 -0.001 0.000 0.219 207 G C 1.331 176.243 174.900 0.021 0.000 1.177 207 G CA 0.997 46.072 45.100 -0.042 0.000 0.773 207 G HN 0.241 nan 8.290 nan 0.000 0.573 208 F N -0.386 119.609 119.950 0.075 0.000 2.161 208 F HA 0.004 4.531 4.527 -0.001 0.000 0.300 208 F C 2.450 178.462 175.800 0.353 0.000 1.089 208 F CA 0.781 58.891 58.000 0.182 0.000 1.282 208 F CB -0.190 38.892 39.000 0.136 0.000 1.010 208 F HN 0.028 nan 8.300 nan 0.000 0.485 209 F N 0.612 120.680 119.950 0.197 0.000 2.186 209 F HA -0.147 4.379 4.527 -0.001 0.000 0.299 209 F C 2.290 178.145 175.800 0.091 0.000 1.090 209 F CA 1.142 59.209 58.000 0.111 0.000 1.307 209 F CB -1.117 37.912 39.000 0.047 0.000 1.019 209 F HN 0.067 nan 8.300 nan 0.000 0.489 210 E N -1.525 118.838 120.200 0.271 0.000 2.072 210 E HA -0.239 4.111 4.350 -0.001 0.000 0.190 210 E C 2.016 178.701 176.600 0.141 0.000 0.982 210 E CA 1.026 57.518 56.400 0.153 0.000 0.803 210 E CB -0.454 29.311 29.700 0.108 0.000 0.755 210 E HN 0.430 nan 8.360 nan 0.000 0.453 211 Y N 0.726 121.064 120.300 0.064 0.000 2.181 211 Y HA -0.224 4.325 4.550 -0.001 0.000 0.288 211 Y C 2.076 178.016 175.900 0.067 0.000 1.146 211 Y CA 1.159 59.288 58.100 0.048 0.000 1.164 211 Y CB -0.062 38.416 38.460 0.030 0.000 0.982 211 Y HN -0.160 nan 8.280 nan 0.000 0.515 212 V N -0.157 119.855 119.914 0.164 0.000 2.649 212 V HA -0.122 3.997 4.120 -0.001 0.000 0.248 212 V C 2.493 178.557 176.094 -0.051 0.000 1.054 212 V CA 1.150 63.494 62.300 0.072 0.000 1.073 212 V CB -0.847 31.092 31.823 0.195 0.000 0.699 212 V HN 0.555 nan 8.190 nan 0.000 0.463 213 A N 1.346 124.139 122.820 -0.045 0.000 1.892 213 A HA -0.142 4.177 4.320 -0.001 0.000 0.218 213 A C 0.479 178.015 177.584 -0.080 0.000 1.188 213 A CA 2.314 54.308 52.037 -0.072 0.000 0.631 213 A CB -1.905 17.070 19.000 -0.042 0.000 0.822 213 A HN 0.581 nan 8.150 nan 0.000 0.447 214 P HA -0.003 nan 4.420 nan 0.000 0.225 214 P C 1.364 178.601 177.300 -0.106 0.000 1.156 214 P CA 0.647 63.690 63.100 -0.095 0.000 0.787 214 P CB -0.159 31.480 31.700 -0.103 0.000 0.802 215 I N -0.741 119.746 120.570 -0.138 0.000 2.226 215 I HA -0.207 3.962 4.170 -0.001 0.000 0.245 215 I C 2.421 178.494 176.117 -0.074 0.000 1.100 215 I CA 1.293 62.524 61.300 -0.115 0.000 1.374 215 I CB -0.526 37.398 38.000 -0.127 0.000 1.057 215 I HN -0.156 nan 8.210 nan 0.000 0.413 216 I N 0.834 121.362 120.570 -0.070 0.000 2.142 216 I HA -0.282 3.887 4.170 -0.001 0.000 0.240 216 I C 2.834 178.920 176.117 -0.052 0.000 1.078 216 I CA 1.445 62.711 61.300 -0.058 0.000 1.343 216 I CB -0.481 37.477 38.000 -0.071 0.000 1.046 216 I HN 0.167 nan 8.210 nan 0.000 0.405 217 A N 0.660 123.447 122.820 -0.055 0.000 1.940 217 A HA -0.180 4.140 4.320 -0.001 0.000 0.219 217 A C 2.432 179.991 177.584 -0.042 0.000 1.176 217 A CA 1.914 53.923 52.037 -0.046 0.000 0.631 217 A CB -0.841 18.132 19.000 -0.045 0.000 0.814 217 A HN 0.456 nan 8.150 nan 0.000 0.446 218 A N -1.368 121.423 122.820 -0.048 0.000 2.168 218 A HA 0.058 4.377 4.320 -0.001 0.000 0.215 218 A C 2.034 179.595 177.584 -0.038 0.000 1.152 218 A CA 1.360 53.371 52.037 -0.044 0.000 0.716 218 A CB -0.187 18.783 19.000 -0.050 0.000 0.794 218 A HN 0.508 nan 8.150 nan 0.000 0.465 219 R N -1.361 119.116 120.500 -0.038 0.000 2.521 219 R HA 0.176 4.515 4.340 -0.001 0.000 0.289 219 R C -0.084 176.200 176.300 -0.028 0.000 0.936 219 R CA -0.367 55.713 56.100 -0.032 0.000 1.089 219 R CB 0.391 30.671 30.300 -0.033 0.000 1.348 219 R HN 0.235 nan 8.270 nan 0.000 0.536 220 R N 1.170 121.653 120.500 -0.029 0.000 2.488 220 R HA 0.012 4.351 4.340 -0.001 0.000 0.317 220 R C 0.678 176.964 176.300 -0.023 0.000 0.941 220 R CA 1.238 57.323 56.100 -0.025 0.000 1.076 220 R CB -0.065 30.220 30.300 -0.026 0.000 0.917 220 R HN 0.480 nan 8.270 nan 0.000 0.407 221 G N 2.385 111.172 108.800 -0.021 0.000 2.175 221 G HA2 -0.299 3.660 3.960 -0.001 0.000 0.265 221 G HA3 -0.299 3.660 3.960 -0.001 0.000 0.265 221 G C 0.656 175.544 174.900 -0.020 0.000 0.979 221 G CA 0.231 45.319 45.100 -0.020 0.000 0.663 221 G HN 0.888 nan 8.290 nan 0.000 0.533 222 G N -1.719 107.068 108.800 -0.022 0.000 2.683 222 G HA2 0.568 4.527 3.960 -0.001 0.000 0.260 222 G HA3 0.568 4.527 3.960 -0.001 0.000 0.260 222 G C 0.803 175.691 174.900 -0.021 0.000 1.238 222 G CA 0.939 46.026 45.100 -0.022 0.000 0.934 222 G HN 1.252 nan 8.290 nan 0.000 0.534 223 S N -2.802 112.886 115.700 -0.021 0.000 6.541 223 S HA 0.332 4.801 4.470 -0.001 0.000 0.087 223 S C 0.228 174.816 174.600 -0.020 0.000 1.262 223 S CA 1.295 59.482 58.200 -0.021 0.000 1.323 223 S CB -0.407 62.780 63.200 -0.022 0.000 1.739 223 S HN 2.279 nan 8.310 nan 0.000 0.531 224 G N 1.697 110.484 108.800 -0.021 0.000 2.225 224 G HA2 0.273 4.233 3.960 -0.001 0.000 0.184 224 G HA3 0.273 4.233 3.960 -0.001 0.000 0.184 224 G C -0.024 174.860 174.900 -0.026 0.000 2.549 224 G CA 0.617 45.703 45.100 -0.024 0.000 0.925 224 G HN 0.781 nan 8.290 nan 0.000 0.550 225 T N -1.545 112.992 114.554 -0.028 0.000 3.069 225 T HA 0.229 4.578 4.350 -0.001 0.000 0.252 225 T C 0.788 175.465 174.700 -0.037 0.000 1.053 225 T CA 0.616 62.699 62.100 -0.029 0.000 0.964 225 T CB 0.027 68.880 68.868 -0.026 0.000 1.005 225 T HN 0.662 nan 8.240 nan 0.000 0.532 226 D N 1.251 121.625 120.400 -0.044 0.000 2.363 226 D HA -0.010 4.629 4.640 -0.001 0.000 0.240 226 D C 1.370 177.632 176.300 -0.063 0.000 1.236 226 D CA -0.597 53.365 54.000 -0.062 0.000 0.927 226 D CB 1.230 41.990 40.800 -0.067 0.000 1.150 226 D HN 0.062 nan 8.370 nan 0.000 0.458 227 L N 0.600 121.768 121.223 -0.091 0.000 2.042 227 L HA -0.169 4.170 4.340 -0.001 0.000 0.210 227 L C 2.313 179.160 176.870 -0.039 0.000 1.076 227 L CA 1.471 56.267 54.840 -0.074 0.000 0.749 227 L CB -0.470 41.514 42.059 -0.125 0.000 0.893 227 L HN 0.553 nan 8.230 nan 0.000 0.432 228 I N -0.903 119.642 120.570 -0.043 0.000 2.179 228 I HA -0.316 3.853 4.170 -0.001 0.000 0.242 228 I C 2.535 178.645 176.117 -0.011 0.000 1.088 228 I CA 1.847 63.141 61.300 -0.010 0.000 1.357 228 I CB -0.733 37.265 38.000 -0.003 0.000 1.051 228 I HN 0.516 nan 8.210 nan 0.000 0.409 229 T N -0.694 113.847 114.554 -0.023 0.000 2.857 229 T HA -0.146 4.204 4.350 -0.001 0.000 0.266 229 T C 2.065 176.754 174.700 -0.018 0.000 1.048 229 T CA 0.926 63.014 62.100 -0.021 0.000 1.139 229 T CB -0.212 68.641 68.868 -0.025 0.000 0.874 229 T HN 0.197 nan 8.240 nan 0.000 0.455 230 R N 0.313 120.801 120.500 -0.020 0.000 2.094 230 R HA 0.016 4.355 4.340 -0.001 0.000 0.239 230 R C 2.530 178.822 176.300 -0.012 0.000 1.137 230 R CA 2.221 58.310 56.100 -0.018 0.000 0.943 230 R CB -0.542 29.747 30.300 -0.020 0.000 0.850 230 R HN 0.488 nan 8.270 nan 0.000 0.433 231 I N 0.168 120.736 120.570 -0.003 0.000 2.233 231 I HA -0.240 3.929 4.170 -0.001 0.000 0.243 231 I C 2.330 178.451 176.117 0.007 0.000 1.093 231 I CA 0.828 62.132 61.300 0.007 0.000 1.380 231 I CB -0.214 37.803 38.000 0.027 0.000 1.067 231 I HN 0.203 nan 8.210 nan 0.000 0.413 232 L N 0.904 122.131 121.223 0.007 0.000 2.129 232 L HA -0.240 4.099 4.340 -0.001 0.000 0.212 232 L C 1.548 178.415 176.870 -0.004 0.000 1.087 232 L CA 1.631 56.475 54.840 0.007 0.000 0.757 232 L CB -0.348 41.709 42.059 -0.003 0.000 0.896 232 L HN 0.367 nan 8.230 nan 0.000 0.434 233 N N -1.137 117.555 118.700 -0.014 0.000 2.336 233 N HA 0.038 4.777 4.740 -0.001 0.000 0.189 233 N C -0.030 175.461 175.510 -0.030 0.000 1.113 233 N CA 0.060 53.097 53.050 -0.021 0.000 0.858 233 N CB 0.227 38.701 38.487 -0.022 0.000 0.970 233 N HN -0.023 nan 8.380 nan 0.000 0.471 234 V N 2.317 122.210 119.914 -0.035 0.000 2.493 234 V HA -0.043 4.076 4.120 -0.001 0.000 0.292 234 V C 0.746 176.795 176.094 -0.075 0.000 1.016 234 V CA -0.212 62.056 62.300 -0.054 0.000 1.097 234 V CB 0.096 31.882 31.823 -0.061 0.000 0.947 234 V HN 0.199 nan 8.190 nan 0.000 0.479 235 E N 4.860 125.015 120.200 -0.074 0.000 2.413 235 E HA 0.185 4.535 4.350 -0.001 0.000 0.263 235 E C -0.612 175.908 176.600 -0.134 0.000 1.015 235 E CA -0.180 56.170 56.400 -0.084 0.000 0.916 235 E CB 0.779 30.439 29.700 -0.065 0.000 0.947 235 E HN 0.409 nan 8.360 nan 0.000 0.440 236 I N 3.322 123.801 120.570 -0.152 0.000 2.355 236 I HA 0.053 4.222 4.170 -0.001 0.000 0.288 236 I C -0.342 175.696 176.117 -0.132 0.000 0.999 236 I CA -0.466 60.699 61.300 -0.224 0.000 1.163 236 I CB 1.097 38.876 38.000 -0.370 0.000 1.316 236 I HN 0.543 nan 8.210 nan 0.000 0.454 237 D N 4.951 125.280 120.400 -0.118 0.000 2.740 237 D HA -0.177 4.462 4.640 -0.001 0.000 0.231 237 D C 0.977 177.245 176.300 -0.054 0.000 1.194 237 D CA 1.411 55.369 54.000 -0.070 0.000 0.673 237 D CB -1.055 39.716 40.800 -0.048 0.000 0.995 237 D HN 1.081 nan 8.370 nan 0.000 0.411 238 G N 0.507 109.272 108.800 -0.058 0.000 2.296 238 G HA2 -0.183 3.776 3.960 -0.001 0.000 0.263 238 G HA3 -0.183 3.776 3.960 -0.001 0.000 0.263 238 G C 0.024 174.901 174.900 -0.039 0.000 0.887 238 G CA 1.292 46.365 45.100 -0.045 0.000 1.318 238 G HN 0.776 nan 8.290 nan 0.000 0.403 239 K N 1.417 121.791 120.400 -0.043 0.000 2.927 239 K HA 0.352 4.672 4.320 -0.001 0.000 0.305 239 K C -3.075 173.503 176.600 -0.036 0.000 1.129 239 K CA -1.299 54.968 56.287 -0.034 0.000 0.898 239 K CB 0.941 33.424 32.500 -0.028 0.000 1.401 239 K HN 0.069 nan 8.250 nan 0.000 0.372 240 P HA 0.097 nan 4.420 nan 0.000 0.268 240 P C -0.440 176.857 177.300 -0.006 0.000 1.205 240 P CA 0.134 63.223 63.100 -0.018 0.000 0.771 240 P CB 0.435 32.127 31.700 -0.013 0.000 0.858 241 M N 4.249 123.853 119.600 0.007 0.000 2.251 241 M HA 0.062 4.541 4.480 -0.001 0.000 0.343 241 M C -1.788 174.546 176.300 0.057 0.000 1.245 241 M CA -0.897 54.444 55.300 0.068 0.000 1.061 241 M CB -0.468 32.201 32.600 0.115 0.000 1.723 241 M HN 0.236 nan 8.290 nan 0.000 0.449 242 P HA -0.003 nan 4.420 nan 0.000 0.270 242 P C -0.134 177.166 177.300 -0.001 0.000 1.227 242 P CA -0.171 62.950 63.100 0.034 0.000 0.788 242 P CB 0.507 32.235 31.700 0.046 0.000 0.926 243 D N 0.518 120.902 120.400 -0.026 0.000 2.097 243 D HA -0.147 4.492 4.640 -0.001 0.000 0.197 243 D C 1.312 177.541 176.300 -0.117 0.000 0.984 243 D CA 1.518 55.478 54.000 -0.067 0.000 0.826 243 D CB -0.638 40.126 40.800 -0.060 0.000 0.973 243 D HN 0.524 nan 8.370 nan 0.000 0.460 244 D N 1.126 121.474 120.400 -0.086 0.000 2.116 244 D HA -0.199 4.440 4.640 -0.001 0.000 0.193 244 D C 1.877 178.085 176.300 -0.153 0.000 0.998 244 D CA 1.041 54.979 54.000 -0.103 0.000 0.836 244 D CB -0.543 40.243 40.800 -0.022 0.000 0.951 244 D HN 0.041 nan 8.370 nan 0.000 0.449 245 R N 0.557 120.985 120.500 -0.121 0.000 2.081 245 R HA 0.043 4.382 4.340 -0.001 0.000 0.235 245 R C 2.451 178.649 176.300 -0.170 0.000 1.131 245 R CA 1.335 57.320 56.100 -0.192 0.000 0.960 245 R CB -0.873 29.312 30.300 -0.192 0.000 0.856 245 R HN 0.389 nan 8.270 nan 0.000 0.436 246 A N 1.327 124.083 122.820 -0.108 0.000 1.902 246 A HA -0.103 4.217 4.320 -0.001 0.000 0.217 246 A C 2.389 179.859 177.584 -0.191 0.000 1.181 246 A CA 1.016 52.997 52.037 -0.093 0.000 0.623 246 A CB -0.540 18.423 19.000 -0.061 0.000 0.818 246 A HN 0.171 nan 8.150 nan 0.000 0.443 247 L N -0.713 120.294 121.223 -0.359 0.000 2.012 247 L HA -0.170 4.169 4.340 -0.001 0.000 0.210 247 L C 2.843 179.369 176.870 -0.574 0.000 1.073 247 L CA 1.295 55.715 54.840 -0.701 0.000 0.748 247 L CB -0.852 40.359 42.059 -1.412 0.000 0.891 247 L HN 0.494 nan 8.230 nan 0.000 0.431 248 G N -0.246 108.348 108.800 -0.343 0.000 2.402 248 G HA2 -0.238 3.722 3.960 -0.001 0.000 0.216 248 G HA3 -0.238 3.722 3.960 -0.001 0.000 0.216 248 G C 1.648 176.511 174.900 -0.062 0.000 1.162 248 G CA 0.671 45.754 45.100 -0.029 0.000 0.777 248 G HN 0.285 nan 8.290 nan 0.000 0.539 249 L N 0.460 121.629 121.223 -0.091 0.000 2.044 249 L HA -0.012 4.327 4.340 -0.001 0.000 0.205 249 L C 2.886 179.755 176.870 -0.001 0.000 1.075 249 L CA 0.963 55.783 54.840 -0.034 0.000 0.747 249 L CB -0.164 41.895 42.059 0.001 0.000 0.903 249 L HN 0.102 nan 8.230 nan 0.000 0.435 250 V N -0.410 119.501 119.914 -0.005 0.000 2.358 250 V HA -0.235 3.884 4.120 -0.001 0.000 0.246 250 V C 2.593 178.728 176.094 0.068 0.000 1.047 250 V CA 1.859 64.188 62.300 0.048 0.000 1.035 250 V CB -0.606 31.246 31.823 0.047 0.000 0.658 250 V HN 0.485 nan 8.190 nan 0.000 0.452 251 S N 0.589 116.310 115.700 0.036 0.000 2.383 251 S HA -0.214 4.256 4.470 -0.001 0.000 0.229 251 S C 1.902 176.341 174.600 -0.269 0.000 1.030 251 S CA 1.857 60.019 58.200 -0.063 0.000 1.002 251 S CB -0.481 62.729 63.200 0.016 0.000 0.829 251 S HN 0.482 nan 8.310 nan 0.000 0.467 252 L N 1.634 122.769 121.223 -0.147 0.000 2.141 252 L HA 0.094 4.434 4.340 -0.001 0.000 0.209 252 L C 1.914 178.739 176.870 -0.075 0.000 1.094 252 L CA 1.354 56.117 54.840 -0.128 0.000 0.763 252 L CB -0.539 41.498 42.059 -0.037 0.000 0.908 252 L HN 0.247 nan 8.230 nan 0.000 0.437 253 L N -1.185 120.040 121.223 0.003 0.000 2.042 253 L HA -0.252 4.087 4.340 -0.001 0.000 0.210 253 L C 2.490 179.357 176.870 -0.005 0.000 1.076 253 L CA 1.439 56.331 54.840 0.086 0.000 0.749 253 L CB -0.576 41.626 42.059 0.238 0.000 0.893 253 L HN 0.312 nan 8.230 nan 0.000 0.432 254 L N -0.928 120.325 121.223 0.050 0.000 2.027 254 L HA -0.250 4.089 4.340 -0.001 0.000 0.206 254 L C 2.545 179.345 176.870 -0.117 0.000 1.074 254 L CA 1.148 56.028 54.840 0.067 0.000 0.745 254 L CB -0.492 41.725 42.059 0.263 0.000 0.898 254 L HN 0.284 nan 8.230 nan 0.000 0.433 255 L N -0.152 120.933 121.223 -0.230 0.000 1.970 255 L HA -0.183 4.156 4.340 -0.001 0.000 0.212 255 L C 2.530 179.336 176.870 -0.107 0.000 1.071 255 L CA 1.952 56.687 54.840 -0.176 0.000 0.751 255 L CB -0.865 41.032 42.059 -0.270 0.000 0.889 255 L HN 0.340 nan 8.230 nan 0.000 0.432 256 G N -1.147 107.579 108.800 -0.124 0.000 2.440 256 G HA2 -0.245 3.714 3.960 -0.001 0.000 0.218 256 G HA3 -0.245 3.714 3.960 -0.001 0.000 0.218 256 G C 1.408 176.158 174.900 -0.250 0.000 1.154 256 G CA 0.692 45.727 45.100 -0.108 0.000 0.767 256 G HN 0.559 nan 8.290 nan 0.000 0.552 257 G N -0.498 107.955 108.800 -0.579 0.000 2.534 257 G HA2 0.151 4.110 3.960 -0.001 0.000 0.217 257 G HA3 0.151 4.110 3.960 -0.001 0.000 0.217 257 G C 1.368 175.861 174.900 -0.679 0.000 1.128 257 G CA 0.567 45.004 45.100 -1.106 0.000 0.784 257 G HN 0.305 nan 8.290 nan 0.000 0.542 258 L N -0.015 120.987 121.223 -0.368 0.000 2.738 258 L HA 0.298 4.637 4.340 -0.001 0.000 0.178 258 L C 2.160 179.007 176.870 -0.038 0.000 1.281 258 L CA 0.845 55.600 54.840 -0.143 0.000 0.864 258 L CB -1.079 40.941 42.059 -0.064 0.000 1.224 258 L HN 0.052 nan 8.230 nan 0.000 0.520 259 D N -0.310 120.091 120.400 0.001 0.000 2.133 259 D HA -0.195 4.445 4.640 -0.001 0.000 0.195 259 D C 1.964 178.315 176.300 0.086 0.000 0.997 259 D CA 2.037 56.069 54.000 0.053 0.000 0.840 259 D CB 0.245 41.095 40.800 0.083 0.000 0.947 259 D HN 0.480 nan 8.370 nan 0.000 0.452 260 T N -1.945 112.659 114.554 0.083 0.000 2.668 260 T HA -0.108 4.241 4.350 -0.001 0.000 0.262 260 T C 2.247 177.075 174.700 0.213 0.000 1.045 260 T CA 1.737 63.921 62.100 0.141 0.000 1.152 260 T CB -0.983 67.956 68.868 0.118 0.000 0.864 260 T HN -0.010 nan 8.240 nan 0.000 0.419 261 V N 1.800 121.819 119.914 0.175 0.000 2.343 261 V HA -0.152 3.968 4.120 -0.001 0.000 0.247 261 V C 2.994 179.253 176.094 0.276 0.000 1.051 261 V CA 1.445 63.893 62.300 0.246 0.000 1.036 261 V CB -0.958 30.967 31.823 0.171 0.000 0.654 261 V HN 0.392 nan 8.190 nan 0.000 0.451 262 V N 0.805 120.820 119.914 0.168 0.000 2.250 262 V HA -0.321 3.798 4.120 -0.001 0.000 0.250 262 V C 2.343 178.533 176.094 0.160 0.000 1.060 262 V CA 2.504 64.882 62.300 0.131 0.000 1.030 262 V CB -0.842 31.018 31.823 0.061 0.000 0.643 262 V HN 0.590 nan 8.190 nan 0.000 0.445 263 N N -0.738 118.072 118.700 0.183 0.000 2.171 263 N HA -0.117 4.622 4.740 -0.001 0.000 0.184 263 N C 1.738 177.452 175.510 0.340 0.000 1.021 263 N CA 1.459 54.626 53.050 0.196 0.000 0.854 263 N CB -0.443 38.174 38.487 0.217 0.000 0.994 263 N HN 0.525 nan 8.380 nan 0.000 0.426 264 F N 2.251 122.363 119.950 0.270 0.000 2.063 264 F HA -0.203 4.323 4.527 -0.001 0.000 0.298 264 F C 2.160 178.055 175.800 0.158 0.000 1.109 264 F CA 1.402 59.558 58.000 0.260 0.000 1.212 264 F CB -0.449 38.659 39.000 0.179 0.000 0.973 264 F HN -0.060 nan 8.300 nan 0.000 0.480 265 L N -0.104 121.292 121.223 0.288 0.000 2.042 265 L HA -0.187 4.152 4.340 -0.001 0.000 0.210 265 L C 2.823 179.753 176.870 0.100 0.000 1.076 265 L CA 1.352 56.320 54.840 0.214 0.000 0.749 265 L CB -1.589 40.732 42.059 0.437 0.000 0.893 265 L HN 0.396 nan 8.230 nan 0.000 0.432 266 G N -0.196 108.664 108.800 0.101 0.000 2.459 266 G HA2 -0.281 3.678 3.960 -0.001 0.000 0.217 266 G HA3 -0.281 3.678 3.960 -0.001 0.000 0.217 266 G C 1.316 176.064 174.900 -0.253 0.000 1.183 266 G CA 0.706 45.791 45.100 -0.026 0.000 0.776 266 G HN 0.176 nan 8.290 nan 0.000 0.552 267 F N 0.362 120.226 119.950 -0.144 0.000 2.095 267 F HA -0.054 4.472 4.527 -0.001 0.000 0.298 267 F C 2.798 178.112 175.800 -0.809 0.000 1.104 267 F CA 1.707 59.571 58.000 -0.226 0.000 1.232 267 F CB -0.472 38.527 39.000 -0.002 0.000 0.987 267 F HN 0.087 nan 8.300 nan 0.000 0.475 268 M N -0.872 118.047 119.600 -1.136 0.000 2.117 268 M HA -0.251 4.228 4.480 -0.001 0.000 0.262 268 M C 2.223 178.078 176.300 -0.742 0.000 1.065 268 M CA 1.770 56.092 55.300 -1.631 0.000 1.114 268 M CB -0.214 31.645 32.600 -1.234 0.000 1.361 268 M HN 0.255 nan 8.290 nan 0.000 0.408 269 M N 0.701 119.957 119.600 -0.574 0.000 2.175 269 M HA -0.072 4.408 4.480 -0.001 0.000 0.264 269 M C 1.700 177.794 176.300 -0.343 0.000 1.063 269 M CA 1.628 56.564 55.300 -0.608 0.000 1.119 269 M CB -0.518 31.298 32.600 -1.306 0.000 1.377 269 M HN 0.316 nan 8.290 nan 0.000 0.415 270 I N -1.570 118.860 120.570 -0.234 0.000 2.163 270 I HA -0.357 3.813 4.170 -0.001 0.000 0.243 270 I C 2.223 178.366 176.117 0.044 0.000 1.085 270 I CA 1.577 62.846 61.300 -0.051 0.000 1.347 270 I CB -0.572 37.471 38.000 0.072 0.000 1.044 270 I HN 0.294 nan 8.210 nan 0.000 0.408 271 Y N 1.377 121.653 120.300 -0.040 0.000 2.097 271 Y HA -0.257 4.292 4.550 -0.001 0.000 0.282 271 Y C 2.343 178.332 175.900 0.148 0.000 1.152 271 Y CA 1.717 59.899 58.100 0.137 0.000 1.136 271 Y CB -0.198 38.403 38.460 0.235 0.000 0.975 271 Y HN 0.004 nan 8.280 nan 0.000 0.498 272 L N -0.153 121.173 121.223 0.171 0.000 2.083 272 L HA -0.227 4.113 4.340 -0.001 0.000 0.209 272 L C 2.723 179.500 176.870 -0.155 0.000 1.083 272 L CA 1.572 56.458 54.840 0.076 0.000 0.752 272 L CB -0.873 41.237 42.059 0.086 0.000 0.899 272 L HN 0.391 nan 8.230 nan 0.000 0.433 273 S N -0.055 115.587 115.700 -0.097 0.000 2.442 273 S HA -0.162 4.307 4.470 -0.001 0.000 0.236 273 S C 1.884 176.339 174.600 -0.243 0.000 1.007 273 S CA 0.727 58.816 58.200 -0.184 0.000 0.965 273 S CB -0.248 62.969 63.200 0.029 0.000 0.773 273 S HN 0.444 nan 8.310 nan 0.000 0.504 274 R N -0.244 120.103 120.500 -0.256 0.000 2.334 274 R HA 0.241 4.580 4.340 -0.001 0.000 0.216 274 R C -0.312 175.532 176.300 -0.760 0.000 0.905 274 R CA 0.182 56.025 56.100 -0.428 0.000 1.064 274 R CB 0.123 30.169 30.300 -0.423 0.000 1.046 274 R HN 0.549 nan 8.270 nan 0.000 0.508 275 H N -0.043 118.816 119.070 -0.352 0.000 2.336 275 H HA 0.153 4.708 4.556 -0.001 0.000 0.230 275 H C -1.814 173.381 175.328 -0.222 0.000 1.426 275 H CA -1.796 54.075 56.048 -0.295 0.000 1.359 275 H CB 0.950 30.488 29.762 -0.373 0.000 1.555 275 H HN -0.035 nan 8.280 nan 0.000 0.512 276 P HA -0.225 nan 4.420 nan 0.000 0.216 276 P C 0.850 178.099 177.300 -0.085 0.000 1.153 276 P CA 1.341 64.335 63.100 -0.176 0.000 0.858 276 P CB 0.609 32.214 31.700 -0.160 0.000 0.789 277 E N 0.103 120.279 120.200 -0.040 0.000 2.085 277 E HA -0.181 4.168 4.350 -0.001 0.000 0.194 277 E C 2.225 178.835 176.600 0.016 0.000 0.994 277 E CA 2.096 58.494 56.400 -0.004 0.000 0.801 277 E CB -1.951 27.758 29.700 0.014 0.000 0.743 277 E HN 0.327 nan 8.360 nan 0.000 0.453 278 T N -0.213 114.366 114.554 0.042 0.000 2.896 278 T HA -0.057 4.293 4.350 -0.001 0.000 0.263 278 T C 1.954 176.682 174.700 0.046 0.000 1.050 278 T CA 0.980 63.117 62.100 0.062 0.000 1.140 278 T CB -0.430 68.503 68.868 0.109 0.000 0.877 278 T HN 0.052 nan 8.240 nan 0.000 0.457 279 V N 2.085 122.005 119.914 0.009 0.000 2.332 279 V HA -0.123 3.996 4.120 -0.001 0.000 0.248 279 V C 3.198 179.303 176.094 0.019 0.000 1.055 279 V CA 1.953 64.251 62.300 -0.005 0.000 1.038 279 V CB -1.427 30.307 31.823 -0.148 0.000 0.651 279 V HN 0.699 nan 8.190 nan 0.000 0.450 280 A N -0.638 122.182 122.820 0.000 0.000 1.933 280 A HA -0.267 4.052 4.320 -0.001 0.000 0.218 280 A C 2.296 179.896 177.584 0.028 0.000 1.175 280 A CA 1.917 53.962 52.037 0.013 0.000 0.628 280 A CB -0.486 18.515 19.000 0.001 0.000 0.814 280 A HN 0.649 nan 8.150 nan 0.000 0.444 281 E N -0.599 119.619 120.200 0.030 0.000 2.106 281 E HA -0.167 4.183 4.350 -0.001 0.000 0.192 281 E C 2.016 178.642 176.600 0.044 0.000 0.984 281 E CA 1.160 57.581 56.400 0.036 0.000 0.806 281 E CB -0.192 29.530 29.700 0.036 0.000 0.750 281 E HN 0.660 nan 8.360 nan 0.000 0.458 282 M N 0.168 119.800 119.600 0.053 0.000 2.132 282 M HA -0.137 4.342 4.480 -0.001 0.000 0.263 282 M C 2.648 178.987 176.300 0.064 0.000 1.065 282 M CA 1.335 56.673 55.300 0.063 0.000 1.122 282 M CB -0.315 32.330 32.600 0.075 0.000 1.365 282 M HN 0.070 nan 8.290 nan 0.000 0.411 283 R N 0.590 121.129 120.500 0.065 0.000 2.081 283 R HA -0.115 4.224 4.340 -0.001 0.000 0.235 283 R C 2.087 178.416 176.300 0.048 0.000 1.131 283 R CA 1.340 57.478 56.100 0.064 0.000 0.960 283 R CB -0.023 30.317 30.300 0.068 0.000 0.856 283 R HN 0.297 nan 8.270 nan 0.000 0.436 284 R N 0.502 121.026 120.500 0.041 0.000 2.193 284 R HA 0.024 4.363 4.340 -0.001 0.000 0.213 284 R C 0.060 176.381 176.300 0.034 0.000 1.055 284 R CA 0.784 56.904 56.100 0.034 0.000 0.995 284 R CB 0.146 30.464 30.300 0.029 0.000 0.893 284 R HN 0.384 nan 8.270 nan 0.000 0.459 285 E N 0.464 120.687 120.200 0.039 0.000 2.675 285 E HA 0.186 4.535 4.350 -0.001 0.000 0.236 285 E C -2.232 174.394 176.600 0.044 0.000 1.059 285 E CA -1.770 54.653 56.400 0.038 0.000 0.775 285 E CB 1.697 31.418 29.700 0.036 0.000 1.356 285 E HN -0.137 nan 8.360 nan 0.000 0.403 286 P HA -0.217 nan 4.420 nan 0.000 0.218 286 P C 1.196 178.527 177.300 0.052 0.000 1.152 286 P CA 0.878 64.008 63.100 0.049 0.000 0.857 286 P CB 0.316 32.042 31.700 0.044 0.000 0.787 287 L N -1.060 120.191 121.223 0.047 0.000 2.156 287 L HA -0.081 4.258 4.340 -0.001 0.000 0.208 287 L C 2.122 179.024 176.870 0.053 0.000 1.095 287 L CA 1.758 56.627 54.840 0.049 0.000 0.770 287 L CB -1.222 40.862 42.059 0.042 0.000 0.914 287 L HN -0.150 nan 8.230 nan 0.000 0.439 288 K N -0.444 119.986 120.400 0.050 0.000 2.097 288 K HA -0.102 4.217 4.320 -0.001 0.000 0.205 288 K C 2.114 178.750 176.600 0.061 0.000 1.050 288 K CA 0.997 57.315 56.287 0.051 0.000 0.938 288 K CB -0.583 31.944 32.500 0.046 0.000 0.718 288 K HN 0.281 nan 8.250 nan 0.000 0.442 289 L N 1.113 122.375 121.223 0.065 0.000 1.976 289 L HA -0.283 4.056 4.340 -0.001 0.000 0.209 289 L C 2.352 179.275 176.870 0.089 0.000 1.071 289 L CA 1.535 56.421 54.840 0.077 0.000 0.746 289 L CB -0.192 41.914 42.059 0.078 0.000 0.890 289 L HN 0.214 nan 8.230 nan 0.000 0.432 290 Q N -0.526 119.326 119.800 0.086 0.000 2.084 290 Q HA -0.215 4.124 4.340 -0.001 0.000 0.202 290 Q C 2.214 178.276 176.000 0.103 0.000 0.978 290 Q CA 1.721 57.582 55.803 0.097 0.000 0.844 290 Q CB -0.076 28.712 28.738 0.084 0.000 0.898 290 Q HN 0.469 nan 8.270 nan 0.000 0.426 291 R N -0.474 120.078 120.500 0.087 0.000 2.276 291 R HA 0.001 4.340 4.340 -0.001 0.000 0.203 291 R C 1.892 178.247 176.300 0.092 0.000 1.017 291 R CA 0.824 56.975 56.100 0.085 0.000 1.010 291 R CB 0.085 30.425 30.300 0.067 0.000 0.900 291 R HN 0.240 nan 8.270 nan 0.000 0.469 292 G N -0.490 108.364 108.800 0.091 0.000 2.986 292 G HA2 -0.031 3.928 3.960 -0.001 0.000 0.213 292 G HA3 -0.031 3.928 3.960 -0.001 0.000 0.213 292 G C 1.225 176.191 174.900 0.110 0.000 1.156 292 G CA -0.193 44.957 45.100 0.083 0.000 0.763 292 G HN 0.054 nan 8.290 nan 0.000 0.547 293 V N 0.773 120.778 119.914 0.153 0.000 2.392 293 V HA -0.176 3.944 4.120 -0.001 0.000 0.249 293 V C 2.688 178.969 176.094 0.312 0.000 1.059 293 V CA 2.277 64.707 62.300 0.217 0.000 1.051 293 V CB -0.078 31.905 31.823 0.266 0.000 0.658 293 V HN 0.409 nan 8.190 nan 0.000 0.455 294 E N 0.341 120.715 120.200 0.290 0.000 2.106 294 E HA -0.218 4.132 4.350 -0.001 0.000 0.192 294 E C 2.060 178.781 176.600 0.201 0.000 0.984 294 E CA 1.257 57.859 56.400 0.337 0.000 0.806 294 E CB -0.223 29.632 29.700 0.259 0.000 0.750 294 E HN 0.653 nan 8.360 nan 0.000 0.458 295 E N 0.132 120.389 120.200 0.094 0.000 2.118 295 E HA -0.172 4.177 4.350 -0.001 0.000 0.195 295 E C 1.833 178.369 176.600 -0.108 0.000 0.992 295 E CA 1.346 57.726 56.400 -0.034 0.000 0.804 295 E CB -0.339 29.334 29.700 -0.046 0.000 0.741 295 E HN 0.385 nan 8.360 nan 0.000 0.458 296 L N -0.737 120.485 121.223 -0.001 0.000 2.056 296 L HA -0.100 4.239 4.340 -0.001 0.000 0.207 296 L C 2.317 179.230 176.870 0.072 0.000 1.078 296 L CA 1.186 56.054 54.840 0.047 0.000 0.749 296 L CB -0.556 41.603 42.059 0.167 0.000 0.901 296 L HN 0.147 nan 8.230 nan 0.000 0.433 297 F N 0.004 120.018 119.950 0.108 0.000 2.171 297 F HA -0.203 4.323 4.527 -0.001 0.000 0.300 297 F C 2.875 178.305 175.800 -0.617 0.000 1.090 297 F CA 1.258 59.147 58.000 -0.186 0.000 1.293 297 F CB -0.347 38.404 39.000 -0.414 0.000 1.013 297 F HN -0.023 nan 8.300 nan 0.000 0.486 298 R N 0.562 120.774 120.500 -0.481 0.000 2.083 298 R HA -0.221 4.119 4.340 -0.001 0.000 0.237 298 R C 2.341 178.352 176.300 -0.482 0.000 1.137 298 R CA 1.753 57.555 56.100 -0.497 0.000 0.951 298 R CB -0.221 29.880 30.300 -0.332 0.000 0.851 298 R HN 0.076 nan 8.270 nan 0.000 0.434 299 R N -0.408 119.715 120.500 -0.628 0.000 2.153 299 R HA -0.012 4.328 4.340 -0.001 0.000 0.218 299 R C 0.098 175.585 176.300 -1.356 0.000 1.072 299 R CA 1.231 56.696 56.100 -1.058 0.000 0.990 299 R CB 0.150 29.543 30.300 -1.512 0.000 0.889 299 R HN 0.211 nan 8.270 nan 0.000 0.452 300 F N 0.317 120.006 119.950 -0.434 0.000 2.679 300 F HA 0.524 5.050 4.527 -0.001 0.000 0.354 300 F C 0.176 175.950 175.800 -0.044 0.000 1.423 300 F CA -0.812 56.868 58.000 -0.533 0.000 1.141 300 F CB 0.392 38.972 39.000 -0.701 0.000 1.168 300 F HN -0.014 nan 8.300 nan 0.000 0.530 301 A N 0.054 122.948 122.820 0.124 0.000 2.448 301 A HA 0.407 4.727 4.320 -0.001 0.000 0.239 301 A C 0.836 178.612 177.584 0.320 0.000 1.080 301 A CA 0.205 52.370 52.037 0.213 0.000 0.779 301 A CB 0.740 19.801 19.000 0.102 0.000 1.026 301 A HN 0.383 nan 8.150 nan 0.000 0.499 302 V N 1.070 121.082 119.914 0.163 0.000 3.332 302 V HA 0.075 4.194 4.120 -0.001 0.000 0.263 302 V C -0.033 176.055 176.094 -0.010 0.000 1.562 302 V CA 0.417 62.720 62.300 0.005 0.000 1.040 302 V CB 0.720 32.628 31.823 0.142 0.000 0.857 302 V HN 0.589 nan 8.190 nan 0.000 0.428 303 V N 0.944 120.886 119.914 0.046 0.000 2.539 303 V HA 0.557 4.677 4.120 -0.001 0.000 0.292 303 V C -0.045 176.049 176.094 -0.001 0.000 1.045 303 V CA -0.009 62.297 62.300 0.010 0.000 0.945 303 V CB 1.575 33.402 31.823 0.007 0.000 0.993 303 V HN 0.330 nan 8.190 nan 0.000 0.464 304 S N 3.299 118.960 115.700 -0.066 0.000 2.524 304 S HA 0.451 4.920 4.470 -0.001 0.000 0.227 304 S C -0.764 173.683 174.600 -0.254 0.000 1.304 304 S CA -0.966 57.151 58.200 -0.137 0.000 1.185 304 S CB 0.609 63.786 63.200 -0.038 0.000 1.104 304 S HN 0.989 nan 8.310 nan 0.000 0.475 305 D N 1.606 121.870 120.400 -0.226 0.000 2.689 305 D HA 0.878 5.517 4.640 -0.001 0.000 0.255 305 D C -0.163 176.003 176.300 -0.223 0.000 1.113 305 D CA -0.943 52.872 54.000 -0.309 0.000 1.115 305 D CB 0.840 41.453 40.800 -0.311 0.000 1.334 305 D HN 0.451 nan 8.370 nan 0.000 0.621 306 A N -1.170 121.543 122.820 -0.178 0.000 2.437 306 A HA 0.868 5.187 4.320 -0.001 0.000 0.292 306 A C -0.556 176.989 177.584 -0.064 0.000 1.173 306 A CA -0.803 51.152 52.037 -0.137 0.000 0.785 306 A CB 1.533 20.464 19.000 -0.115 0.000 1.351 306 A HN 0.406 nan 8.150 nan 0.000 0.431 307 R N -1.348 119.136 120.500 -0.027 0.000 2.855 307 R HA 0.434 4.773 4.340 -0.001 0.000 0.266 307 R C -2.017 174.400 176.300 0.194 0.000 1.034 307 R CA -0.498 55.650 56.100 0.080 0.000 0.944 307 R CB 1.440 31.776 30.300 0.059 0.000 1.219 307 R HN 0.760 nan 8.270 nan 0.000 0.474 308 Y N 0.422 120.783 120.300 0.102 0.000 2.328 308 Y HA 0.326 4.875 4.550 -0.001 0.000 0.336 308 Y C -0.460 175.500 175.900 0.101 0.000 0.960 308 Y CA -0.754 57.410 58.100 0.107 0.000 1.134 308 Y CB 1.342 39.849 38.460 0.078 0.000 1.166 308 Y HN 0.224 nan 8.280 nan 0.000 0.464 309 V N 8.348 128.199 119.914 -0.105 0.000 2.421 309 V HA -0.042 4.078 4.120 -0.001 0.000 0.271 309 V C 0.958 176.961 176.094 -0.153 0.000 1.031 309 V CA 0.244 62.466 62.300 -0.130 0.000 1.032 309 V CB 0.349 32.111 31.823 -0.100 0.000 1.009 309 V HN 0.947 nan 8.190 nan 0.000 0.477 310 V N 4.128 123.987 119.914 -0.092 0.000 2.358 310 V HA -0.083 4.036 4.120 -0.001 0.000 0.246 310 V C 1.026 177.106 176.094 -0.024 0.000 1.047 310 V CA 1.854 64.170 62.300 0.026 0.000 1.035 310 V CB -0.285 31.513 31.823 -0.042 0.000 0.658 310 V HN 0.958 nan 8.190 nan 0.000 0.452 311 S N -1.770 113.859 115.700 -0.117 0.000 2.618 311 S HA 0.460 4.930 4.470 -0.001 0.000 0.277 311 S C -1.498 173.034 174.600 -0.112 0.000 1.138 311 S CA -0.970 57.176 58.200 -0.091 0.000 0.844 311 S CB 1.668 64.824 63.200 -0.073 0.000 1.127 311 S HN 0.199 nan 8.310 nan 0.000 0.474 312 D N 1.889 122.239 120.400 -0.085 0.000 2.525 312 D HA 0.412 5.051 4.640 -0.001 0.000 0.235 312 D C 0.179 176.438 176.300 -0.069 0.000 1.137 312 D CA 0.774 54.725 54.000 -0.082 0.000 0.868 312 D CB 0.009 40.768 40.800 -0.068 0.000 1.180 312 D HN 0.693 nan 8.370 nan 0.000 0.465 313 M N -0.890 118.679 119.600 -0.052 0.000 2.732 313 M HA 0.415 4.895 4.480 -0.001 0.000 0.272 313 M C -1.411 174.905 176.300 0.026 0.000 1.203 313 M CA -0.993 54.292 55.300 -0.024 0.000 0.841 313 M CB 2.494 35.055 32.600 -0.064 0.000 1.685 313 M HN 0.082 nan 8.290 nan 0.000 0.492 314 E N 1.222 121.457 120.200 0.059 0.000 2.158 314 E HA 0.622 4.971 4.350 -0.001 0.000 0.271 314 E C -2.293 174.417 176.600 0.183 0.000 0.911 314 E CA -0.592 55.857 56.400 0.082 0.000 0.767 314 E CB 1.726 31.451 29.700 0.041 0.000 1.120 314 E HN 0.564 nan 8.360 nan 0.000 0.405 315 F N 4.701 124.644 119.950 -0.013 0.000 2.536 315 F HA 0.271 4.797 4.527 -0.001 0.000 0.322 315 F C -0.410 175.431 175.800 0.069 0.000 1.144 315 F CA -0.609 57.420 58.000 0.047 0.000 0.924 315 F CB 0.747 39.824 39.000 0.129 0.000 1.181 315 F HN 0.655 nan 8.300 nan 0.000 0.438 316 H N 4.288 123.032 119.070 -0.543 0.000 2.506 316 H HA -0.192 4.363 4.556 -0.001 0.000 0.323 316 H C 1.417 176.625 175.328 -0.200 0.000 1.076 316 H CA 1.150 56.944 56.048 -0.422 0.000 1.108 316 H CB -0.953 28.466 29.762 -0.572 0.000 1.569 316 H HN 1.177 nan 8.280 nan 0.000 0.399 317 G N 0.590 109.343 108.800 -0.078 0.000 2.166 317 G HA2 -0.332 3.627 3.960 -0.001 0.000 0.260 317 G HA3 -0.332 3.627 3.960 -0.001 0.000 0.260 317 G C 0.420 175.326 174.900 0.009 0.000 0.986 317 G CA 1.308 46.395 45.100 -0.023 0.000 0.683 317 G HN 1.036 nan 8.290 nan 0.000 0.527 318 T N -0.870 113.682 114.554 -0.003 0.000 2.848 318 T HA 0.650 4.999 4.350 -0.001 0.000 0.285 318 T C 0.413 175.108 174.700 -0.009 0.000 0.995 318 T CA -0.881 61.206 62.100 -0.022 0.000 0.970 318 T CB 0.965 69.756 68.868 -0.129 0.000 0.976 318 T HN 0.143 nan 8.240 nan 0.000 0.441 319 M N 4.920 124.554 119.600 0.057 0.000 2.227 319 M HA 0.373 4.852 4.480 -0.001 0.000 0.349 319 M C -0.504 175.895 176.300 0.165 0.000 1.443 319 M CA -0.257 55.109 55.300 0.110 0.000 1.110 319 M CB -0.242 32.455 32.600 0.161 0.000 1.773 319 M HN 0.581 nan 8.290 nan 0.000 0.463 320 L N 2.721 123.989 121.223 0.075 0.000 2.342 320 L HA 0.599 4.939 4.340 -0.001 0.000 0.271 320 L C -0.106 176.743 176.870 -0.035 0.000 1.008 320 L CA -1.072 53.816 54.840 0.080 0.000 0.818 320 L CB 2.017 44.057 42.059 -0.032 0.000 1.296 320 L HN 0.468 nan 8.230 nan 0.000 0.427 321 K N 1.119 121.465 120.400 -0.090 0.000 2.207 321 K HA 0.249 4.568 4.320 -0.001 0.000 0.255 321 K C -0.612 175.919 176.600 -0.115 0.000 0.941 321 K CA -0.647 55.503 56.287 -0.229 0.000 0.825 321 K CB 1.607 33.778 32.500 -0.549 0.000 1.119 321 K HN 0.484 nan 8.250 nan 0.000 0.430 322 E N 1.141 121.269 120.200 -0.119 0.000 2.652 322 E HA 0.021 4.370 4.350 -0.001 0.000 0.255 322 E C 0.452 176.950 176.600 -0.169 0.000 0.952 322 E CA 1.356 57.686 56.400 -0.116 0.000 0.947 322 E CB -0.046 29.627 29.700 -0.046 0.000 0.912 322 E HN 0.732 nan 8.360 nan 0.000 0.489 323 G N 3.825 112.349 108.800 -0.460 0.000 2.195 323 G HA2 -0.240 3.720 3.960 -0.001 0.000 0.246 323 G HA3 -0.240 3.720 3.960 -0.001 0.000 0.246 323 G C -0.145 174.515 174.900 -0.399 0.000 0.984 323 G CA 0.100 44.801 45.100 -0.665 0.000 0.633 323 G HN 0.673 nan 8.290 nan 0.000 0.525 324 D N 0.607 120.920 120.400 -0.144 0.000 2.423 324 D HA 0.472 5.111 4.640 -0.001 0.000 0.238 324 D C 1.028 177.385 176.300 0.095 0.000 1.142 324 D CA 0.282 54.378 54.000 0.161 0.000 0.884 324 D CB 0.668 41.745 40.800 0.461 0.000 1.199 324 D HN 0.355 nan 8.370 nan 0.000 0.438 325 L N 2.373 123.733 121.223 0.229 0.000 2.317 325 L HA 0.505 4.844 4.340 -0.001 0.000 0.281 325 L C 0.013 177.053 176.870 0.284 0.000 1.024 325 L CA -0.764 54.191 54.840 0.193 0.000 0.810 325 L CB 1.163 43.309 42.059 0.146 0.000 1.240 325 L HN 0.150 nan 8.230 nan 0.000 0.427 326 I N 3.618 124.292 120.570 0.172 0.000 2.406 326 I HA 0.290 4.459 4.170 -0.001 0.000 0.290 326 I C -0.528 175.583 176.117 -0.010 0.000 0.999 326 I CA -0.677 60.710 61.300 0.146 0.000 1.124 326 I CB 2.202 40.208 38.000 0.010 0.000 1.289 326 I HN 0.369 nan 8.210 nan 0.000 0.441 327 L N 7.689 128.915 121.223 0.006 0.000 2.326 327 L HA 0.441 4.780 4.340 -0.001 0.000 0.278 327 L C -0.775 175.972 176.870 -0.205 0.000 1.092 327 L CA 0.083 54.839 54.840 -0.141 0.000 0.810 327 L CB 0.820 42.788 42.059 -0.152 0.000 1.153 327 L HN 0.460 nan 8.230 nan 0.000 0.439 328 L N 7.442 128.492 121.223 -0.289 0.000 2.335 328 L HA 0.431 4.771 4.340 -0.001 0.000 0.268 328 L C -2.171 174.482 176.870 -0.361 0.000 1.037 328 L CA -1.668 52.959 54.840 -0.355 0.000 0.895 328 L CB 0.866 42.628 42.059 -0.496 0.000 1.266 328 L HN 0.482 nan 8.230 nan 0.000 0.439 329 P HA 0.091 nan 4.420 nan 0.000 0.284 329 P C 0.721 177.720 177.300 -0.502 0.000 1.343 329 P CA -0.158 62.456 63.100 -0.811 0.000 0.826 329 P CB 1.472 32.023 31.700 -1.916 0.000 0.956 330 T N 2.767 117.173 114.554 -0.248 0.000 2.881 330 T HA -0.136 4.214 4.350 -0.001 0.000 0.270 330 T C 1.783 176.440 174.700 -0.073 0.000 1.068 330 T CA 1.829 63.892 62.100 -0.062 0.000 1.131 330 T CB -0.218 68.668 68.868 0.030 0.000 0.871 330 T HN 0.389 nan 8.240 nan 0.000 0.479 331 A N 0.714 123.453 122.820 -0.135 0.000 2.067 331 A HA 0.104 4.423 4.320 -0.001 0.000 0.219 331 A C 2.041 179.560 177.584 -0.108 0.000 1.158 331 A CA 0.864 52.863 52.037 -0.062 0.000 0.661 331 A CB -0.508 18.499 19.000 0.011 0.000 0.801 331 A HN 0.538 nan 8.150 nan 0.000 0.452 332 L N -1.621 119.484 121.223 -0.197 0.000 2.599 332 L HA -0.041 4.298 4.340 -0.001 0.000 0.230 332 L C 2.138 178.963 176.870 -0.075 0.000 1.141 332 L CA 0.784 55.533 54.840 -0.151 0.000 0.877 332 L CB -0.533 41.385 42.059 -0.236 0.000 1.009 332 L HN 0.685 nan 8.230 nan 0.000 0.447 333 H N -0.175 118.792 119.070 -0.172 0.000 2.284 333 H HA -0.036 4.519 4.556 -0.001 0.000 0.314 333 H C 2.178 177.445 175.328 -0.103 0.000 1.058 333 H CA 0.854 56.782 56.048 -0.200 0.000 1.394 333 H CB 0.162 29.838 29.762 -0.143 0.000 1.431 333 H HN 0.196 nan 8.280 nan 0.000 0.537 334 G N 1.126 109.915 108.800 -0.019 0.000 2.503 334 G HA2 -0.245 3.714 3.960 -0.001 0.000 0.221 334 G HA3 -0.245 3.714 3.960 -0.001 0.000 0.221 334 G C 1.395 176.268 174.900 -0.044 0.000 1.131 334 G CA 1.171 46.216 45.100 -0.092 0.000 0.756 334 G HN 0.373 nan 8.290 nan 0.000 0.572 335 L N 0.488 121.687 121.223 -0.040 0.000 2.611 335 L HA 0.206 4.546 4.340 -0.001 0.000 0.229 335 L C 0.376 177.272 176.870 0.042 0.000 1.137 335 L CA -0.414 54.406 54.840 -0.034 0.000 0.901 335 L CB 0.017 42.035 42.059 -0.069 0.000 1.098 335 L HN 0.031 nan 8.230 nan 0.000 0.456 336 D N 1.606 122.062 120.400 0.095 0.000 2.343 336 D HA -0.053 4.587 4.640 -0.001 0.000 0.255 336 D C 0.838 177.236 176.300 0.163 0.000 1.187 336 D CA -0.053 54.011 54.000 0.107 0.000 0.875 336 D CB 1.248 42.094 40.800 0.077 0.000 1.136 336 D HN 0.184 nan 8.370 nan 0.000 0.469 337 D N 3.218 123.680 120.400 0.102 0.000 2.363 337 D HA -0.116 4.524 4.640 -0.001 0.000 0.220 337 D C 1.236 177.571 176.300 0.059 0.000 0.994 337 D CA 0.461 54.510 54.000 0.082 0.000 0.890 337 D CB -0.087 40.741 40.800 0.047 0.000 0.906 337 D HN 0.350 nan 8.370 nan 0.000 0.530 338 R N -1.065 119.483 120.500 0.079 0.000 2.235 338 R HA 0.031 4.370 4.340 -0.001 0.000 0.213 338 R C 1.103 177.322 176.300 -0.135 0.000 1.059 338 R CA 0.888 56.980 56.100 -0.012 0.000 0.997 338 R CB -0.110 30.184 30.300 -0.010 0.000 0.884 338 R HN 0.364 nan 8.270 nan 0.000 0.462 339 H N -2.285 116.728 119.070 -0.094 0.000 2.681 339 H HA 0.239 4.795 4.556 -0.001 0.000 0.268 339 H C -0.399 174.568 175.328 -0.601 0.000 0.967 339 H CA 0.411 56.295 56.048 -0.274 0.000 1.233 339 H CB 0.656 30.312 29.762 -0.176 0.000 1.445 339 H HN 0.095 nan 8.280 nan 0.000 0.494 340 H N -0.121 119.022 119.070 0.122 0.000 2.966 340 H HA 0.198 4.753 4.556 -0.001 0.000 0.347 340 H C -1.042 174.298 175.328 0.021 0.000 1.048 340 H CA -0.989 55.090 56.048 0.051 0.000 1.295 340 H CB 1.315 31.093 29.762 0.027 0.000 1.744 340 H HN 0.058 nan 8.280 nan 0.000 0.513 341 D N 2.791 123.256 120.400 0.109 0.000 2.399 341 D HA -0.008 4.631 4.640 -0.001 0.000 0.241 341 D C 0.062 176.394 176.300 0.054 0.000 1.133 341 D CA 0.336 54.372 54.000 0.061 0.000 0.890 341 D CB 0.496 41.320 40.800 0.039 0.000 1.201 341 D HN 0.603 nan 8.370 nan 0.000 0.432 342 D N 1.179 121.598 120.400 0.032 0.000 2.755 342 D HA -0.146 4.493 4.640 -0.001 0.000 0.227 342 D C -1.474 174.821 176.300 -0.009 0.000 1.211 342 D CA 0.024 54.032 54.000 0.014 0.000 0.663 342 D CB -0.485 40.323 40.800 0.012 0.000 0.983 342 D HN 0.386 nan 8.370 nan 0.000 0.407 343 P HA -0.144 nan 4.420 nan 0.000 0.222 343 P C 1.536 178.751 177.300 -0.141 0.000 1.147 343 P CA 0.588 63.658 63.100 -0.049 0.000 0.790 343 P CB 0.183 31.886 31.700 0.005 0.000 0.780 344 M N -0.450 119.094 119.600 -0.095 0.000 2.562 344 M HA 0.037 4.516 4.480 -0.001 0.000 0.257 344 M C 1.055 177.285 176.300 -0.117 0.000 1.099 344 M CA 0.706 55.941 55.300 -0.110 0.000 1.099 344 M CB -1.463 31.131 32.600 -0.010 0.000 1.427 344 M HN -0.018 nan 8.290 nan 0.000 0.489 345 T N -0.120 114.373 114.554 -0.102 0.000 2.767 345 T HA 0.463 4.813 4.350 -0.001 0.000 0.288 345 T C -0.129 174.451 174.700 -0.201 0.000 0.963 345 T CA -0.646 61.411 62.100 -0.073 0.000 1.019 345 T CB 1.503 70.374 68.868 0.006 0.000 0.923 345 T HN -0.098 nan 8.240 nan 0.000 0.468 346 V N 5.002 124.735 119.914 -0.301 0.000 2.446 346 V HA 0.234 4.353 4.120 -0.001 0.000 0.276 346 V C 0.382 176.412 176.094 -0.107 0.000 1.030 346 V CA 0.005 62.120 62.300 -0.309 0.000 1.033 346 V CB 0.450 32.045 31.823 -0.380 0.000 0.993 346 V HN 0.977 nan 8.190 nan 0.000 0.477 347 D N 4.634 124.975 120.400 -0.098 0.000 2.462 347 D HA 0.309 4.948 4.640 -0.001 0.000 0.245 347 D C 0.772 177.057 176.300 -0.024 0.000 1.122 347 D CA -0.467 53.511 54.000 -0.037 0.000 0.864 347 D CB 1.436 42.219 40.800 -0.027 0.000 1.098 347 D HN 0.333 nan 8.370 nan 0.000 0.541 348 L N 1.956 123.180 121.223 0.002 0.000 2.191 348 L HA -0.101 4.239 4.340 -0.001 0.000 0.212 348 L C 1.364 178.248 176.870 0.024 0.000 1.103 348 L CA 0.989 55.840 54.840 0.017 0.000 0.769 348 L CB -0.244 41.834 42.059 0.033 0.000 0.908 348 L HN 0.334 nan 8.230 nan 0.000 0.438 349 S N -1.165 114.548 115.700 0.021 0.000 2.562 349 S HA 0.160 4.629 4.470 -0.001 0.000 0.246 349 S C 0.503 175.119 174.600 0.026 0.000 1.056 349 S CA -0.601 57.615 58.200 0.027 0.000 1.042 349 S CB -0.143 63.074 63.200 0.028 0.000 0.822 349 S HN 0.239 nan 8.310 nan 0.000 0.465 350 R N 1.827 122.338 120.500 0.019 0.000 2.484 350 R HA 0.185 4.524 4.340 -0.001 0.000 0.293 350 R C 0.974 177.301 176.300 0.044 0.000 1.023 350 R CA -0.095 56.021 56.100 0.026 0.000 1.037 350 R CB 0.321 30.623 30.300 0.003 0.000 0.951 350 R HN 0.332 nan 8.270 nan 0.000 0.418 351 R N 1.549 122.081 120.500 0.053 0.000 2.090 351 R HA -0.088 4.252 4.340 -0.001 0.000 0.228 351 R C 0.043 176.387 176.300 0.073 0.000 1.110 351 R CA 1.246 57.379 56.100 0.055 0.000 0.973 351 R CB 0.032 30.360 30.300 0.046 0.000 0.869 351 R HN 0.569 nan 8.270 nan 0.000 0.440 352 D N -0.245 120.218 120.400 0.105 0.000 2.408 352 D HA 0.102 4.741 4.640 -0.001 0.000 0.243 352 D C 0.212 176.651 176.300 0.232 0.000 1.075 352 D CA -0.573 53.515 54.000 0.147 0.000 0.832 352 D CB 2.045 42.919 40.800 0.124 0.000 1.162 352 D HN -0.068 nan 8.370 nan 0.000 0.515 353 V N 0.825 120.852 119.914 0.187 0.000 3.159 353 V HA 0.337 4.456 4.120 -0.001 0.000 0.333 353 V C 0.447 176.641 176.094 0.167 0.000 1.424 353 V CA -0.383 61.983 62.300 0.109 0.000 1.125 353 V CB -0.473 31.396 31.823 0.076 0.000 1.075 353 V HN 0.475 nan 8.190 nan 0.000 0.482 354 T N 3.995 118.694 114.554 0.242 0.000 2.867 354 T HA 0.280 4.630 4.350 -0.001 0.000 0.290 354 T C -0.053 174.578 174.700 -0.115 0.000 1.025 354 T CA 1.664 63.795 62.100 0.052 0.000 1.146 354 T CB -0.375 68.573 68.868 0.133 0.000 1.024 354 T HN 1.104 nan 8.240 nan 0.000 0.519 355 H N -1.210 117.637 119.070 -0.373 0.000 2.948 355 H HA 0.612 5.167 4.556 -0.001 0.000 0.315 355 H C -0.573 174.525 175.328 -0.383 0.000 1.360 355 H CA -1.089 54.570 56.048 -0.648 0.000 1.125 355 H CB 0.733 30.301 29.762 -0.324 0.000 1.844 355 H HN 0.248 nan 8.280 nan 0.000 0.529 356 S N -0.020 115.675 115.700 -0.010 0.000 2.741 356 S HA 0.088 4.557 4.470 -0.001 0.000 0.247 356 S C 0.651 175.327 174.600 0.127 0.000 1.050 356 S CA 0.199 58.491 58.200 0.154 0.000 1.025 356 S CB -0.058 63.350 63.200 0.347 0.000 0.897 356 S HN 0.710 nan 8.310 nan 0.000 0.508 357 T N 1.279 115.954 114.554 0.202 0.000 2.849 357 T HA -0.048 4.301 4.350 -0.001 0.000 0.270 357 T C 0.583 175.088 174.700 -0.324 0.000 1.066 357 T CA 1.376 63.377 62.100 -0.165 0.000 1.130 357 T CB -0.268 68.322 68.868 -0.463 0.000 0.864 357 T HN 0.456 nan 8.240 nan 0.000 0.481 358 F N 0.897 120.879 119.950 0.053 0.000 2.641 358 F HA 0.648 5.175 4.527 -0.001 0.000 0.302 358 F C 1.281 176.962 175.800 -0.199 0.000 1.098 358 F CA -0.570 57.377 58.000 -0.088 0.000 1.318 358 F CB -0.997 37.924 39.000 -0.132 0.000 1.035 358 F HN 0.184 nan 8.300 nan 0.000 0.551 359 A N 0.021 122.743 122.820 -0.163 0.000 5.953 359 A HA -0.104 4.215 4.320 -0.001 0.000 0.267 359 A C 0.022 177.422 177.584 -0.307 0.000 2.116 359 A CA 0.636 52.296 52.037 -0.628 0.000 0.711 359 A CB -0.806 17.483 19.000 -1.185 0.000 1.100 359 A HN 0.297 nan 8.150 nan 0.000 0.364 360 Q N -1.105 118.484 119.800 -0.351 0.000 2.738 360 Q HA 0.556 4.895 4.340 -0.001 0.000 0.301 360 Q C 0.257 176.251 176.000 -0.010 0.000 0.901 360 Q CA 0.581 56.348 55.803 -0.059 0.000 0.756 360 Q CB 0.857 29.647 28.738 0.087 0.000 1.463 360 Q HN 3.058 nan 8.270 nan 0.000 0.432 361 G N 1.126 109.950 108.800 0.039 0.000 2.642 361 G HA2 -0.194 3.766 3.960 -0.001 0.000 0.231 361 G HA3 -0.194 3.766 3.960 -0.001 0.000 0.231 361 G C -1.867 173.038 174.900 0.009 0.000 1.338 361 G CA -0.074 45.059 45.100 0.055 0.000 0.883 361 G HN 0.478 nan 8.290 nan 0.000 0.570 362 P HA -0.060 nan 4.420 nan 0.000 0.220 362 P C 0.953 178.131 177.300 -0.205 0.000 1.148 362 P CA 1.696 64.700 63.100 -0.160 0.000 0.803 362 P CB -0.137 31.332 31.700 -0.385 0.000 0.782 363 H N -1.292 117.711 119.070 -0.112 0.000 2.526 363 H HA 0.152 4.708 4.556 -0.001 0.000 0.274 363 H C 0.983 176.288 175.328 -0.038 0.000 0.999 363 H CA -0.303 55.717 56.048 -0.046 0.000 1.157 363 H CB 0.140 29.867 29.762 -0.058 0.000 1.407 363 H HN 0.132 nan 8.280 nan 0.000 0.568 364 R N 1.325 121.840 120.500 0.025 0.000 2.537 364 R HA -0.063 4.276 4.340 -0.001 0.000 0.281 364 R C 0.019 176.302 176.300 -0.029 0.000 0.988 364 R CA -0.038 56.041 56.100 -0.034 0.000 1.077 364 R CB 0.141 30.412 30.300 -0.049 0.000 0.932 364 R HN 0.251 nan 8.270 nan 0.000 0.409 365 C N 5.053 124.338 119.300 -0.025 0.000 2.106 365 C HA -0.075 4.384 4.460 -0.001 0.000 0.402 365 C C 1.831 176.728 174.990 -0.154 0.000 1.548 365 C CA 0.391 59.381 59.018 -0.046 0.000 1.432 365 C CB -1.424 26.324 27.740 0.013 0.000 2.584 365 C HN 0.881 nan 8.230 nan 0.000 0.604 366 A N 4.708 127.491 122.820 -0.062 0.000 2.067 366 A HA 0.140 4.459 4.320 -0.001 0.000 0.219 366 A C 2.085 179.601 177.584 -0.112 0.000 1.158 366 A CA 1.539 53.539 52.037 -0.061 0.000 0.661 366 A CB -0.537 18.474 19.000 0.018 0.000 0.801 366 A HN 1.364 nan 8.150 nan 0.000 0.452 367 G N 0.005 108.728 108.800 -0.129 0.000 3.088 367 G HA2 0.170 4.129 3.960 -0.001 0.000 0.212 367 G HA3 0.170 4.129 3.960 -0.001 0.000 0.212 367 G C 1.290 176.008 174.900 -0.305 0.000 1.173 367 G CA 0.509 45.532 45.100 -0.128 0.000 0.779 367 G HN 0.671 nan 8.290 nan 0.000 0.540 368 M N -0.964 118.256 119.600 -0.633 0.000 2.202 368 M HA -0.092 4.387 4.480 -0.001 0.000 0.262 368 M C 2.050 177.883 176.300 -0.778 0.000 1.063 368 M CA 1.360 55.972 55.300 -1.145 0.000 1.097 368 M CB -0.757 30.792 32.600 -1.752 0.000 1.382 368 M HN 0.105 nan 8.290 nan 0.000 0.413 369 H N 0.783 119.666 119.070 -0.312 0.000 2.363 369 H HA -0.015 4.540 4.556 -0.001 0.000 0.301 369 H C 2.287 177.560 175.328 -0.091 0.000 1.074 369 H CA 1.661 57.603 56.048 -0.177 0.000 1.354 369 H CB -0.643 29.052 29.762 -0.112 0.000 1.397 369 H HN 0.382 nan 8.280 nan 0.000 0.516 370 L N 1.423 122.667 121.223 0.036 0.000 2.013 370 L HA -0.146 4.193 4.340 -0.001 0.000 0.212 370 L C 2.585 179.496 176.870 0.068 0.000 1.073 370 L CA 1.957 56.834 54.840 0.061 0.000 0.753 370 L CB -1.002 41.102 42.059 0.076 0.000 0.890 370 L HN 0.204 nan 8.230 nan 0.000 0.432 371 A N -0.570 122.256 122.820 0.010 0.000 1.883 371 A HA -0.254 4.066 4.320 -0.001 0.000 0.217 371 A C 2.414 180.149 177.584 0.253 0.000 1.186 371 A CA 1.993 54.102 52.037 0.120 0.000 0.624 371 A CB -0.581 18.472 19.000 0.087 0.000 0.822 371 A HN 0.508 nan 8.150 nan 0.000 0.444 372 R N -0.818 119.734 120.500 0.086 0.000 2.091 372 R HA -0.036 4.303 4.340 -0.001 0.000 0.238 372 R C 2.187 178.636 176.300 0.248 0.000 1.136 372 R CA 1.385 57.622 56.100 0.230 0.000 0.959 372 R CB -0.467 29.877 30.300 0.073 0.000 0.856 372 R HN 0.550 nan 8.270 nan 0.000 0.437 373 L N 0.936 122.269 121.223 0.183 0.000 2.027 373 L HA -0.193 4.147 4.340 -0.001 0.000 0.206 373 L C 2.040 179.066 176.870 0.261 0.000 1.074 373 L CA 1.625 56.579 54.840 0.190 0.000 0.745 373 L CB -0.234 41.913 42.059 0.147 0.000 0.898 373 L HN 0.299 nan 8.230 nan 0.000 0.433 374 E N -0.818 119.551 120.200 0.282 0.000 2.085 374 E HA -0.239 4.110 4.350 -0.001 0.000 0.194 374 E C 2.118 179.039 176.600 0.535 0.000 0.994 374 E CA 1.569 58.223 56.400 0.422 0.000 0.801 374 E CB -0.106 29.750 29.700 0.260 0.000 0.743 374 E HN 0.356 nan 8.360 nan 0.000 0.453 375 V N 0.994 121.158 119.914 0.416 0.000 2.358 375 V HA -0.234 3.885 4.120 -0.001 0.000 0.246 375 V C 2.718 178.978 176.094 0.277 0.000 1.047 375 V CA 2.108 64.623 62.300 0.357 0.000 1.035 375 V CB -0.683 31.302 31.823 0.269 0.000 0.658 375 V HN 0.455 nan 8.190 nan 0.000 0.452 376 T N -1.022 113.692 114.554 0.265 0.000 2.821 376 T HA -0.136 4.213 4.350 -0.001 0.000 0.267 376 T C 1.847 176.654 174.700 0.178 0.000 1.046 376 T CA 1.888 64.110 62.100 0.203 0.000 1.139 376 T CB -0.152 68.827 68.868 0.186 0.000 0.871 376 T HN 0.201 nan 8.240 nan 0.000 0.454 377 V N 2.317 122.358 119.914 0.211 0.000 2.307 377 V HA -0.113 4.006 4.120 -0.001 0.000 0.245 377 V C 2.776 178.943 176.094 0.122 0.000 1.045 377 V CA 2.047 64.455 62.300 0.181 0.000 1.024 377 V CB -0.729 31.245 31.823 0.251 0.000 0.651 377 V HN 0.551 nan 8.190 nan 0.000 0.449 378 M N -0.086 119.586 119.600 0.120 0.000 2.082 378 M HA -0.218 4.262 4.480 -0.001 0.000 0.258 378 M C 2.123 178.456 176.300 0.055 0.000 1.069 378 M CA 2.217 57.516 55.300 -0.003 0.000 1.102 378 M CB -0.820 31.836 32.600 0.094 0.000 1.336 378 M HN 0.300 nan 8.290 nan 0.000 0.404 379 L N -0.158 121.117 121.223 0.087 0.000 2.056 379 L HA -0.225 4.114 4.340 -0.001 0.000 0.207 379 L C 2.593 179.527 176.870 0.105 0.000 1.078 379 L CA 1.270 56.156 54.840 0.076 0.000 0.749 379 L CB -0.681 41.423 42.059 0.074 0.000 0.901 379 L HN 0.377 nan 8.230 nan 0.000 0.433 380 Q N -0.349 119.508 119.800 0.095 0.000 2.050 380 Q HA -0.206 4.133 4.340 -0.001 0.000 0.202 380 Q C 2.205 178.241 176.000 0.060 0.000 0.980 380 Q CA 1.442 57.292 55.803 0.079 0.000 0.840 380 Q CB -0.015 28.769 28.738 0.077 0.000 0.898 380 Q HN 0.389 nan 8.270 nan 0.000 0.424 381 E N -0.219 120.011 120.200 0.049 0.000 2.152 381 E HA -0.155 4.194 4.350 -0.001 0.000 0.192 381 E C 1.500 178.083 176.600 -0.029 0.000 0.983 381 E CA 0.507 56.910 56.400 0.004 0.000 0.818 381 E CB -0.314 29.383 29.700 -0.006 0.000 0.758 381 E HN 0.507 nan 8.360 nan 0.000 0.467 382 W N 1.485 122.677 121.300 -0.181 0.000 2.355 382 W HA -0.107 4.553 4.660 -0.001 0.000 0.309 382 W C 1.712 178.105 176.519 -0.210 0.000 1.206 382 W CA 0.997 58.182 57.345 -0.267 0.000 1.284 382 W CB -0.379 28.858 29.460 -0.371 0.000 1.145 382 W HN 0.026 nan 8.180 nan 0.000 0.502 383 L N 0.896 122.223 121.223 0.174 0.000 2.313 383 L HA -0.087 4.252 4.340 -0.001 0.000 0.214 383 L C 2.760 179.641 176.870 0.018 0.000 1.119 383 L CA 0.881 55.811 54.840 0.149 0.000 0.809 383 L CB -1.086 41.073 42.059 0.167 0.000 0.933 383 L HN -0.104 nan 8.230 nan 0.000 0.449 384 A N 0.423 123.233 122.820 -0.016 0.000 2.024 384 A HA -0.197 4.122 4.320 -0.001 0.000 0.220 384 A C 2.303 179.832 177.584 -0.091 0.000 1.164 384 A CA 1.714 53.727 52.037 -0.040 0.000 0.643 384 A CB -0.262 18.717 19.000 -0.035 0.000 0.806 384 A HN 0.432 nan 8.150 nan 0.000 0.451 385 R N -2.077 118.310 120.500 -0.189 0.000 2.412 385 R HA 0.419 4.758 4.340 -0.001 0.000 0.212 385 R C -0.375 175.735 176.300 -0.317 0.000 0.878 385 R CA 0.262 56.219 56.100 -0.238 0.000 1.022 385 R CB 0.649 30.769 30.300 -0.300 0.000 1.265 385 R HN 0.398 nan 8.270 nan 0.000 0.620 386 I N 2.611 122.895 120.570 -0.478 0.000 2.782 386 I HA 0.220 4.390 4.170 -0.001 0.000 0.279 386 I C -2.064 173.956 176.117 -0.161 0.000 1.247 386 I CA -1.563 59.377 61.300 -0.601 0.000 1.062 386 I CB 2.019 39.168 38.000 -1.418 0.000 1.421 386 I HN -0.161 nan 8.210 nan 0.000 0.558 387 P HA 0.052 nan 4.420 nan 0.000 0.236 387 P C 0.121 177.533 177.300 0.188 0.000 1.177 387 P CA 0.942 64.110 63.100 0.113 0.000 0.773 387 P CB 0.647 32.382 31.700 0.058 0.000 0.878 388 E N -0.260 120.067 120.200 0.212 0.000 2.292 388 E HA 0.563 4.913 4.350 -0.001 0.000 0.272 388 E C -0.908 175.898 176.600 0.343 0.000 0.881 388 E CA -0.761 55.740 56.400 0.169 0.000 0.754 388 E CB 1.947 31.710 29.700 0.105 0.000 1.201 388 E HN -0.004 nan 8.360 nan 0.000 0.425 389 F N -0.352 119.658 119.950 0.100 0.000 2.773 389 F HA 0.661 5.187 4.527 -0.001 0.000 0.314 389 F C -1.380 174.478 175.800 0.096 0.000 1.160 389 F CA -1.231 56.873 58.000 0.173 0.000 0.920 389 F CB 1.199 40.295 39.000 0.160 0.000 1.323 389 F HN 0.402 nan 8.300 nan 0.000 0.457 390 R N 1.400 122.047 120.500 0.246 0.000 2.734 390 R HA 0.654 4.994 4.340 -0.001 0.000 0.271 390 R C -2.121 174.277 176.300 0.164 0.000 1.021 390 R CA -1.125 55.019 56.100 0.074 0.000 0.893 390 R CB 1.898 32.214 30.300 0.027 0.000 1.244 390 R HN 0.913 nan 8.270 nan 0.000 0.464 391 L N 1.831 123.096 121.223 0.070 0.000 2.417 391 L HA 0.255 4.594 4.340 -0.001 0.000 0.268 391 L C 0.295 177.197 176.870 0.054 0.000 1.158 391 L CA -0.371 54.509 54.840 0.066 0.000 0.819 391 L CB 1.077 43.148 42.059 0.019 0.000 1.112 391 L HN 0.720 nan 8.230 nan 0.000 0.458 392 K N 2.555 122.988 120.400 0.054 0.000 2.485 392 K HA -0.042 4.277 4.320 -0.001 0.000 0.277 392 K C -0.396 176.209 176.600 0.008 0.000 0.990 392 K CA -0.426 55.877 56.287 0.027 0.000 0.994 392 K CB 0.382 32.892 32.500 0.016 0.000 0.906 392 K HN 0.405 nan 8.250 nan 0.000 0.488 393 D N 3.685 124.085 120.400 -0.001 0.000 2.583 393 D HA -0.070 4.569 4.640 -0.001 0.000 0.232 393 D C 0.313 176.608 176.300 -0.008 0.000 1.128 393 D CA 0.764 54.760 54.000 -0.008 0.000 0.859 393 D CB 0.388 41.181 40.800 -0.012 0.000 1.169 393 D HN 0.550 nan 8.370 nan 0.000 0.481 394 R N -0.110 120.386 120.500 -0.007 0.000 3.847 394 R HA -0.216 4.123 4.340 -0.001 0.000 0.304 394 R C 0.041 176.338 176.300 -0.004 0.000 1.203 394 R CA 0.968 57.065 56.100 -0.004 0.000 0.835 394 R CB -1.961 28.335 30.300 -0.006 0.000 1.253 394 R HN 0.525 nan 8.270 nan 0.000 0.516 395 A N 0.053 122.872 122.820 -0.003 0.000 2.511 395 A HA 0.425 4.744 4.320 -0.001 0.000 0.242 395 A C 0.179 177.760 177.584 -0.005 0.000 1.069 395 A CA 0.168 52.202 52.037 -0.005 0.000 0.763 395 A CB 0.775 19.776 19.000 0.001 0.000 1.001 395 A HN 0.070 nan 8.150 nan 0.000 0.498 396 V N 6.022 125.925 119.914 -0.018 0.000 2.419 396 V HA 0.326 4.445 4.120 -0.001 0.000 0.287 396 V C -2.308 173.731 176.094 -0.091 0.000 1.017 396 V CA -1.271 61.015 62.300 -0.024 0.000 0.844 396 V CB 1.745 33.565 31.823 -0.005 0.000 1.011 396 V HN 0.850 nan 8.190 nan 0.000 0.429 397 P HA 0.330 nan 4.420 nan 0.000 0.271 397 P C -0.536 176.440 177.300 -0.540 0.000 1.218 397 P CA -0.194 62.686 63.100 -0.368 0.000 0.780 397 P CB 0.714 32.101 31.700 -0.522 0.000 0.901 398 I N 1.009 121.306 120.570 -0.455 0.000 2.359 398 I HA 0.438 4.608 4.170 -0.001 0.000 0.294 398 I C -1.264 174.518 176.117 -0.559 0.000 0.987 398 I CA -0.556 60.494 61.300 -0.417 0.000 1.225 398 I CB 0.653 38.534 38.000 -0.199 0.000 1.366 398 I HN 0.203 nan 8.210 nan 0.000 0.466 399 Y N 5.606 125.774 120.300 -0.220 0.000 2.360 399 Y HA 0.574 5.123 4.550 -0.001 0.000 0.337 399 Y C 0.036 175.727 175.900 -0.348 0.000 1.039 399 Y CA -0.510 57.519 58.100 -0.118 0.000 1.109 399 Y CB 1.337 39.847 38.460 0.084 0.000 1.201 399 Y HN 0.511 nan 8.280 nan 0.000 0.458 400 H N 0.870 120.117 119.070 0.294 0.000 2.572 400 H HA 0.498 5.053 4.556 -0.001 0.000 0.359 400 H C -0.857 174.616 175.328 0.240 0.000 1.134 400 H CA -0.877 55.300 56.048 0.216 0.000 1.187 400 H CB 2.248 32.096 29.762 0.143 0.000 1.597 400 H HN 0.656 nan 8.280 nan 0.000 0.524 401 S N 1.314 117.216 115.700 0.336 0.000 2.568 401 S HA 0.891 5.361 4.470 -0.001 0.000 0.302 401 S C 0.316 175.075 174.600 0.265 0.000 1.082 401 S CA -0.065 58.330 58.200 0.325 0.000 1.009 401 S CB 2.718 66.070 63.200 0.254 0.000 1.069 401 S HN 1.006 nan 8.310 nan 0.000 0.500 402 G N 0.858 109.767 108.800 0.181 0.000 2.441 402 G HA2 0.279 4.239 3.960 -0.001 0.000 0.225 402 G HA3 0.279 4.239 3.960 -0.001 0.000 0.225 402 G C -0.045 174.796 174.900 -0.099 0.000 1.200 402 G CA -0.226 44.874 45.100 -0.001 0.000 0.947 402 G HN 0.570 nan 8.290 nan 0.000 0.484 403 I N 0.272 120.748 120.570 -0.157 0.000 2.394 403 I HA 0.102 4.272 4.170 -0.001 0.000 0.251 403 I C 0.938 176.959 176.117 -0.160 0.000 1.136 403 I CA 1.196 62.288 61.300 -0.347 0.000 1.425 403 I CB -0.924 36.581 38.000 -0.824 0.000 1.079 403 I HN 0.061 nan 8.210 nan 0.000 0.425 404 V N 0.991 120.889 119.914 -0.028 0.000 2.588 404 V HA 0.653 4.773 4.120 -0.001 0.000 0.304 404 V C 0.255 176.333 176.094 -0.026 0.000 1.042 404 V CA -1.241 61.056 62.300 -0.006 0.000 0.877 404 V CB 1.591 33.452 31.823 0.064 0.000 0.996 404 V HN 0.220 nan 8.190 nan 0.000 0.425 405 A N 3.510 126.197 122.820 -0.222 0.000 2.386 405 A HA 0.860 5.180 4.320 -0.001 0.000 0.248 405 A C 0.315 177.945 177.584 0.078 0.000 1.082 405 A CA 0.422 52.248 52.037 -0.352 0.000 0.789 405 A CB 0.603 18.730 19.000 -1.456 0.000 1.025 405 A HN 1.591 nan 8.150 nan 0.000 0.490 406 A N 0.388 123.346 122.820 0.230 0.000 2.515 406 A HA 0.765 5.084 4.320 -0.001 0.000 0.296 406 A C -0.710 176.999 177.584 0.209 0.000 1.094 406 A CA -0.186 51.979 52.037 0.214 0.000 0.718 406 A CB 1.473 20.536 19.000 0.106 0.000 1.307 406 A HN 1.943 nan 8.150 nan 0.000 0.408 407 V N -0.770 119.089 119.914 -0.091 0.000 2.925 407 V HA 0.818 4.937 4.120 -0.001 0.000 0.311 407 V C -0.729 175.282 176.094 -0.137 0.000 1.104 407 V CA -0.775 61.388 62.300 -0.228 0.000 0.954 407 V CB 1.334 32.786 31.823 -0.619 0.000 1.022 407 V HN 0.977 nan 8.190 nan 0.000 0.427 408 E N 1.026 121.151 120.200 -0.124 0.000 2.410 408 E HA 0.638 4.987 4.350 -0.001 0.000 0.269 408 E C -0.743 175.786 176.600 -0.117 0.000 0.937 408 E CA -1.061 55.294 56.400 -0.075 0.000 0.793 408 E CB 1.465 31.168 29.700 0.003 0.000 1.314 408 E HN 0.946 nan 8.360 nan 0.000 0.447 409 N N 0.880 119.546 118.700 -0.058 0.000 2.531 409 N HA -0.163 4.576 4.740 -0.001 0.000 0.279 409 N C -1.685 173.797 175.510 -0.047 0.000 1.267 409 N CA 0.326 53.347 53.050 -0.047 0.000 0.663 409 N CB -0.835 37.615 38.487 -0.062 0.000 0.886 409 N HN 0.497 nan 8.380 nan 0.000 0.544 410 I N 2.473 123.050 120.570 0.013 0.000 2.750 410 I HA 0.298 4.467 4.170 -0.001 0.000 0.279 410 I C -2.253 173.916 176.117 0.086 0.000 1.206 410 I CA -1.704 59.619 61.300 0.038 0.000 1.101 410 I CB 1.309 39.357 38.000 0.080 0.000 1.431 410 I HN 0.128 nan 8.210 nan 0.000 0.551 411 P HA 0.220 nan 4.420 nan 0.000 0.275 411 P C -0.530 176.845 177.300 0.124 0.000 1.276 411 P CA 0.245 63.395 63.100 0.084 0.000 0.782 411 P CB 0.464 32.188 31.700 0.041 0.000 0.851 412 L N 3.256 124.604 121.223 0.210 0.000 2.344 412 L HA 0.556 4.895 4.340 -0.001 0.000 0.272 412 L C 0.679 177.783 176.870 0.390 0.000 1.035 412 L CA -0.553 54.487 54.840 0.333 0.000 0.807 412 L CB 1.456 43.764 42.059 0.416 0.000 1.237 412 L HN 0.269 nan 8.230 nan 0.000 0.442 413 E N 0.458 120.932 120.200 0.457 0.000 2.356 413 E HA 0.567 4.916 4.350 -0.001 0.000 0.275 413 E C -1.866 175.062 176.600 0.548 0.000 0.904 413 E CA -0.522 56.048 56.400 0.283 0.000 0.757 413 E CB 2.497 32.255 29.700 0.097 0.000 1.232 413 E HN 0.469 nan 8.360 nan 0.000 0.442 414 W N 0.645 122.035 121.300 0.149 0.000 2.937 414 W HA 0.518 5.177 4.660 -0.001 0.000 0.360 414 W C -1.232 175.343 176.519 0.093 0.000 1.215 414 W CA -0.932 56.494 57.345 0.135 0.000 1.183 414 W CB 0.412 29.981 29.460 0.181 0.000 1.458 414 W HN 0.279 nan 8.180 nan 0.000 0.574 415 E N 2.775 123.146 120.200 0.285 0.000 2.070 415 E HA 0.392 4.742 4.350 -0.001 0.000 0.282 415 E C -1.883 174.868 176.600 0.252 0.000 1.104 415 E CA -1.544 54.951 56.400 0.158 0.000 0.876 415 E CB 0.438 30.223 29.700 0.142 0.000 1.055 415 E HN 0.129 nan 8.360 nan 0.000 0.401 416 P HA 0.000 nan 4.420 nan 0.000 0.216 416 P CA 0.000 63.204 63.100 0.174 0.000 0.800 416 P CB 0.000 31.725 31.700 0.041 0.000 0.726